 Entering Gaussian System, Link 0=g16
 Input=36a_RhEn3-lel3_STD_LCPBE_augccpVDZ.in
 Output=36a_RhEn3-lel3_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/36a_RhEn3-lel3_STD/Gau-5348.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/36a_RhEn3-lel3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5351.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                19-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36a_RhEn3-lel3_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023600
 0000,3/108=0236000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1) Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=1001009,75=-5,107=236000000,108=236000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Jul 19 18:51:39 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     3
 TstMul:  Mul=     1
 TstMul:  ICh=     3
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "36a_RhEn3-lel3_STD_LCPBE_augccpVDZ.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.478199000000     -2.838320000000      0.749399000000
  C                                                -0.645629000000     -2.804461000000     -0.750307000000
  N                                                -1.078681000000     -1.418399000000     -1.150041000000
  Rh                                                0.000089000000      0.000061000000      0.000067000000
  N                                                 0.452614000000     -1.723960000000      1.149911000000
  N                                                 1.266579000000      1.253203000000      1.150361000000
  C                                                 2.697130000000      1.004980000000      0.749740000000
  C                                                 2.751749000000      0.843414000000     -0.749999000000
  N                                                 1.767955000000     -0.224596000000     -1.150132000000
  N                                                -0.689162000000      1.644142000000     -1.149359000000
  C                                                -2.106386000000      1.961118000000     -0.750083000000
  C                                                -2.219517000000      1.832701000000      0.749582000000
  N                                                -1.719027000000      0.469782000000      1.150195000000
  H                                                 3.756021000000      0.579430000000     -1.083089000000
  H                                                 2.470270000000      1.765046000000     -1.260306000000
  H                                                 3.333144000000      1.825874000000      1.082628000000
  H                                                 3.035123000000      0.102500000000      1.259954000000
  H                                                -2.380317000000      2.962746000000     -1.083117000000
  H                                                -2.763117000000      1.256285000000     -1.260915000000
  H                                                -3.248557000000      1.972847000000      1.082181000000
  H                                                -1.607166000000      2.576710000000      1.260000000000
  H                                                -1.376439000000     -3.542110000000     -1.083457000000
  H                                                 0.293217000000     -3.021476000000     -1.260748000000
  H                                                -0.085550000000     -3.799768000000      1.082032000000
  H                                                -1.428624000000     -2.679610000000      1.259901000000
  H                                                 1.413300000000     -2.037405000000      1.012360000000
  H                                                 0.376507000000     -1.580276000000      2.156655000000
  H                                                -2.086004000000     -1.339860000000     -1.011556000000
  H                                                -0.954028000000     -1.314487000000     -2.156803000000
  H                                                -2.470374000000     -0.206011000000      1.012941000000
  H                                                -1.556269000000      0.464260000000      2.156877000000
  H                                                -0.118063000000      2.477516000000     -1.010037000000
  H                                                -0.660849000000      1.484860000000     -2.156217000000
  H                                                 1.057396000000      2.241932000000      1.013461000000
  H                                                 1.180208000000      1.114623000000      2.156980000000
  H                                                 2.203896000000     -1.136230000000     -1.012433000000
  H                                                 1.615436000000     -0.167935000000     -2.156845000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Jul 19 18:51:39 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.478199   -2.838320    0.749399
      2          6           0       -0.645629   -2.804461   -0.750307
      3          7           0       -1.078681   -1.418399   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.452614   -1.723960    1.149911
      6          7           0        1.266579    1.253203    1.150361
      7          6           0        2.697130    1.004980    0.749740
      8          6           0        2.751749    0.843414   -0.749999
      9          7           0        1.767955   -0.224596   -1.150132
     10          7           0       -0.689162    1.644142   -1.149359
     11          6           0       -2.106386    1.961118   -0.750083
     12          6           0       -2.219517    1.832701    0.749582
     13          7           0       -1.719027    0.469782    1.150195
     14          1           0        3.756021    0.579430   -1.083089
     15          1           0        2.470270    1.765046   -1.260306
     16          1           0        3.333144    1.825874    1.082628
     17          1           0        3.035123    0.102500    1.259954
     18          1           0       -2.380317    2.962746   -1.083117
     19          1           0       -2.763117    1.256285   -1.260915
     20          1           0       -3.248557    1.972847    1.082181
     21          1           0       -1.607166    2.576710    1.260000
     22          1           0       -1.376439   -3.542110   -1.083457
     23          1           0        0.293217   -3.021476   -1.260748
     24          1           0       -0.085550   -3.799768    1.082032
     25          1           0       -1.428624   -2.679610    1.259901
     26          1           0        1.413300   -2.037405    1.012360
     27          1           0        0.376507   -1.580276    2.156655
     28          1           0       -2.086004   -1.339860   -1.011556
     29          1           0       -0.954028   -1.314487   -2.156803
     30          1           0       -2.470374   -0.206011    1.012941
     31          1           0       -1.556269    0.464260    2.156877
     32          1           0       -0.118063    2.477516   -1.010037
     33          1           0       -0.660849    1.484860   -2.156217
     34          1           0        1.057396    2.241932    1.013461
     35          1           0        1.180208    1.114623    2.156980
     36          1           0        2.203896   -1.136230   -1.012433
     37          1           0        1.615436   -0.167935   -2.156845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509403   0.000000
     3  N    2.446350   1.506150   0.000000
     4  Rh   2.974334   2.974114   2.120972   0.000000
     5  N    1.506194   2.446313   2.779930   2.121124   0.000000
     6  N    4.466048   4.871726   4.234330   2.120740   3.086428
     7  C    4.985345   5.285454   4.872236   2.974206   3.555995
     8  C    5.122101   4.984894   4.466321   2.974135   3.935364
     9  N    3.935096   3.555412   3.086827   2.121032   3.044407
    10  N    4.872602   4.466677   3.087213   2.121143   4.234903
    11  C    5.285267   4.984431   3.554895   2.974173   4.872192
    12  C    4.985040   5.121529   3.934428   2.974390   4.466585
    13  N    3.555816   3.935068   3.044069   2.121036   3.086831
    14  H    5.741746   5.562013   5.231649   3.951698   4.604823
    15  H    5.824377   5.554216   4.768808   3.287173   4.696088
    16  H    6.032585   6.374189   5.913909   3.951555   4.572013
    17  H    4.610046   5.102892   5.004457   3.287741   3.165031
    18  H    6.374052   6.031632   4.570904   3.951851   5.914146
    19  H    5.101765   4.608051   3.162839   3.286865   5.003486
    20  H    5.561740   5.740725   4.603447   3.951779   5.231600
    21  H    5.554982   5.824336   4.695582   3.287829   4.769756
    22  H    2.159055   1.090504   2.145517   3.951687   3.411603
    23  H    2.160861   1.090448   2.112869   3.287136   2.742304
    24  H    1.090505   2.159118   3.411653   3.951795   2.145509
    25  H    1.090463   2.160927   2.742432   3.287710   2.112918
    26  H    2.070841   2.816835   3.356950   2.678277   1.019846
    27  H    2.072092   3.315693   3.616354   2.700005   1.019790
    28  H    2.816271   2.070746   1.019827   2.677789   3.356196
    29  H    3.315794   2.072043   1.019758   2.700086   3.616721
    30  H    3.311686   3.631898   2.843446   2.677978   3.296481
    31  H    3.748368   4.468279   3.835127   2.699919   3.136542
    32  H    5.611009   5.314609   4.015039   2.678069   4.758513
    33  H    5.212087   4.513877   3.100949   2.700190   4.739916
    34  H    5.313825   5.610459   4.758318   2.677844   4.014060
    35  H    4.511913   5.210107   4.738688   2.699482   3.098570
    36  H    3.632464   3.312325   3.297555   2.678260   2.843967
    37  H    4.467720   3.747270   3.136173   2.699970   3.835102
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.506183   0.000000
     8  C    2.446431   1.509405   0.000000
     9  N    2.779845   2.446372   1.506188   0.000000
    10  N    3.044087   3.934727   3.555351   3.087006   0.000000
    11  C    3.935699   5.122249   4.985051   4.466308   1.506127
    12  C    3.556586   4.985834   5.285917   4.872506   2.446123
    13  N    3.086680   4.466458   4.872184   4.234703   2.779873
    14  H    3.411684   2.159075   1.090504   2.145544   4.571395
    15  H    2.742658   2.160891   1.090435   2.112832   3.163690
    16  H    2.145514   1.090502   2.159113   3.411665   4.603666
    17  H    2.112789   1.090425   2.160825   2.742484   4.695929
    18  H    4.605520   5.742184   5.562431   5.231807   2.145486
    19  H    4.696031   5.824104   5.553850   4.768217   2.112858
    20  H    4.572635   6.033115   6.374651   5.914167   3.411498
    21  H    3.165770   4.610603   5.103386   5.004747   2.741792
    22  H    5.913587   6.374214   6.032077   4.571385   5.232008
    23  H    5.003375   5.102275   4.608972   3.163799   4.769221
    24  H    5.231198   5.562313   5.741580   4.604334   5.914356
    25  H    4.768976   5.555026   5.824681   4.696112   5.004615
    26  H    3.296767   3.312596   3.632695   2.844016   4.758904
    27  H    3.135835   3.748099   4.468186   3.835210   4.739436
    28  H    4.757906   5.610598   5.314033   4.014476   3.297639
    29  H    4.739352   5.211418   4.513138   3.100071   3.136652
    30  H    4.014101   5.314026   5.610688   4.758431   3.357279
    31  H    3.099028   4.512628   5.210826   4.739335   3.615964
    32  H    2.843149   3.631871   3.312662   3.298196   1.019842
    33  H    3.834332   4.466642   3.746295   3.135847   1.019772
    34  H    1.019845   2.070828   2.817175   3.357051   2.843520
    35  H    1.019778   2.072052   3.315693   3.616067   3.834946
    36  H    3.356431   2.816614   2.070750   1.019844   4.014848
    37  H    3.616483   3.315724   2.072016   1.019776   3.099971
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509399   0.000000
    13  N    2.446464   1.506164   0.000000
    14  H    6.032228   6.374671   5.914028   0.000000
    15  H    4.609181   5.102777   5.003842   1.757910   0.000000
    16  H    5.741568   5.562644   5.231442   2.534320   2.497517
    17  H    5.824931   5.555656   4.769579   2.497400   3.071617
    18  H    1.090508   2.159084   3.411723   6.582920   4.999408
    19  H    1.090429   2.160985   2.742656   6.556593   5.258058
    20  H    2.159140   1.090498   2.145528   7.462849   6.183479
    21  H    2.160696   1.090436   2.112751   6.184090   4.861710
    22  H    5.561428   5.741028   4.604546   6.582495   6.557008
    23  H    5.553838   5.823941   4.695812   4.998910   5.258360
    24  H    6.374028   6.032333   4.571865   6.214724   6.556365
    25  H    5.102524   4.609435   3.164655   6.556789   6.427113
    26  H    5.610934   5.314521   4.014531   4.089875   4.554210
    27  H    5.211080   4.513049   3.099510   5.155714   5.220215
    28  H    3.311380   3.631057   2.842999   6.149638   5.519235
    29  H    3.746515   4.466915   3.834720   5.188867   4.691806
    30  H    2.817302   2.070902   1.019832   6.616514   5.784694
    31  H    3.315664   2.071958   1.019769   6.223429   5.438952
    32  H    2.070669   2.815698   3.355694   4.314695   2.696241
    33  H    2.072103   3.315736   3.616972   4.634668   3.268802
    34  H    3.632969   3.312893   3.296625   3.800265   2.719127
    35  H    4.468699   3.748938   3.136080   4.173642   3.710142
    36  H    5.314219   5.611224   4.758735   2.314643   2.924004
    37  H    4.512627   5.211212   4.739392   2.508707   2.295853
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757919   0.000000
    18  H    6.215027   6.557284   0.000000
    19  H    6.555991   6.426942   1.757884   0.000000
    20  H    6.583342   6.558539   2.534217   2.497841   0.000000
    21  H    5.000188   5.260472   2.497395   3.071605   1.757963
    22  H    7.462396   6.183578   6.581863   4.997896   6.213660
    23  H    6.182990   4.861195   6.556695   5.257415   6.555665
    24  H    6.582957   4.999795   7.462267   6.182430   6.582378
    25  H    6.557839   5.259769   6.183173   4.860726   4.998910
    26  H    4.314587   2.696443   6.616953   5.784344   6.149789
    27  H    4.636496   3.271704   6.223765   5.439035   5.188474
    28  H    6.616241   5.784989   4.313254   2.694556   4.087700
    29  H    6.223795   5.440166   4.634849   3.268683   5.153877
    30  H    6.149328   5.519664   3.800341   2.719270   2.314689
    31  H    5.187905   4.692145   4.173613   3.710133   2.508913
    32  H    4.088363   4.553695   2.314861   2.924150   3.798955
    33  H    5.153483   5.219325   2.508438   2.296376   4.173917
    34  H    2.314502   2.923924   4.090609   4.554186   4.314900
    35  H    2.509032   2.295595   5.156658   5.220334   4.637424
    36  H    3.799808   2.718296   6.149928   5.518794   6.616873
    37  H    4.173725   3.709874   5.188458   4.690716   6.223557
                   21         22         23         24         25
    21  H    0.000000
    22  H    6.556293   0.000000
    23  H    6.426921   1.757909   0.000000
    24  H    6.557931   2.534191   2.497563   0.000000
    25  H    5.259351   2.497590   3.071690   1.757908   0.000000
    26  H    5.520380   3.799899   2.718456   2.314590   2.924079
    27  H    4.692492   4.173720   3.709803   2.508875   2.295910
    28  H    4.552886   2.314856   2.924145   3.799483   2.717829
    29  H    5.219439   2.508547   2.296159   4.173839   3.709807
    30  H    2.923987   4.089148   4.553454   4.313612   2.695352
    31  H    2.295523   5.155881   5.220260   4.636835   3.271816
    32  H    2.716677   6.150187   5.520047   6.616805   5.784992
    33  H    3.709204   5.189731   4.692459   6.224510   5.440786
    34  H    2.696803   6.616325   5.784415   6.149241   5.519294
    35  H    3.272877   6.222703   5.438284   5.187378   4.691158
    36  H    5.785678   4.314175   2.695646   4.089350   4.554199
    37  H    5.439951   4.635573   3.270160   5.154987   5.220054
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.610378   0.000000
    28  H    4.102186   4.019866   0.000000
    29  H    4.021249   4.521823   1.610467   0.000000
    30  H    4.293824   3.361758   2.352008   3.684468   0.000000
    31  H    4.048035   2.813494   3.684350   4.704728   1.610416
    32  H    5.178771   5.170901   4.294782   4.048851   4.102088
    33  H    5.171878   5.391849   3.364574   2.814658   4.022063
    34  H    4.294112   4.047194   5.177923   5.171510   4.293901
    35  H    3.361513   2.812191   5.170324   5.391128   4.047178
    36  H    2.353071   3.685057   4.294730   3.363606   5.178441
    37  H    3.685056   4.704884   4.047932   2.813668   5.171348
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.018828   0.000000
    33  H    4.521745   1.610500   0.000000
    34  H    3.361363   2.351967   3.684071   0.000000
    35  H    2.812699   3.684153   4.704278   1.610448   0.000000
    36  H    5.171551   4.295423   4.047854   4.102522   4.019882
    37  H    5.391436   3.364312   2.813042   4.021158   4.521445
                   36         37
    36  H    0.000000
    37  H    1.610453   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.97D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.477057   -2.838512    0.749399
      2          6           0       -0.644501   -2.804721   -0.750307
      3          7           0       -1.078110   -1.418833   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.453307   -1.723778    1.149911
      6          7           0        1.266075    1.253712    1.150361
      7          6           0        2.696725    1.006065    0.749740
      8          6           0        2.751409    0.844521   -0.749999
      9          7           0        1.768045   -0.223885   -1.150132
     10          7           0       -0.689823    1.643865   -1.149359
     11          6           0       -2.107175    1.960270   -0.750083
     12          6           0       -2.220254    1.831808    0.749582
     13          7           0       -1.719216    0.469090    1.150195
     14          1           0        3.755788    0.580941   -1.083089
     15          1           0        2.469560    1.766040   -1.260306
     16          1           0        3.332409    1.827215    1.082628
     17          1           0        3.035082    0.103721    1.259954
     18          1           0       -2.381509    2.961788   -1.083117
     19          1           0       -2.763622    1.255173   -1.260915
     20          1           0       -3.249350    1.971540    1.082181
     21          1           0       -1.608202    2.576063    1.260000
     22          1           0       -1.375014   -3.542663   -1.083457
     23          1           0        0.294432   -3.021358   -1.260748
     24          1           0       -0.084021   -3.799802    1.082032
     25          1           0       -1.427546   -2.680185    1.259901
     26          1           0        1.414120   -2.036836    1.012360
     27          1           0        0.377143   -1.580124    2.156655
     28          1           0       -2.085465   -1.340699   -1.011556
     29          1           0       -0.953499   -1.314871   -2.156803
     30          1           0       -2.470291   -0.207005    1.012941
     31          1           0       -1.556456    0.463634    2.156877
     32          1           0       -0.119060    2.477468   -1.010037
     33          1           0       -0.661446    1.484594   -2.156217
     34          1           0        1.056494    2.242357    1.013461
     35          1           0        1.179760    1.115098    2.156980
     36          1           0        2.204353   -1.135343   -1.012433
     37          1           0        1.615503   -0.167285   -2.156845
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.6901150           0.6900165           0.4769981
 Leave Link  202 at Mon Jul 19 18:51:40 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.1851107110 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.236000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.236000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Jul 19 18:51:43 2021, MaxMem=  5637144576 cpu:              19.6 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29888 LenP2D=  115189.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.12D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Mon Jul 19 18:51:45 2021, MaxMem=  5637144576 cpu:              19.7 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Jul 19 18:51:46 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36a_RhEn3-lel3_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Jul 19 18:51:48 2021, MaxMem=  5637144576 cpu:              10.9 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636461399 LenY=  5636124419
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -679.215940592439    
 DIIS: error= 5.61D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -679.215940592439     IErMin= 1 ErrMin= 5.61D-02
 ErrMax= 5.61D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-01 BMatP= 1.11D-01
 IDIUse=3 WtCom= 4.39D-01 WtEn= 5.61D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.358 Goal=   None    Shift=    0.000
 GapD=    0.358 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=2.45D-02 MaxDP=8.77D+00              OVMax= 2.37D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.58D-03    CP:  1.16D+00
 E= -679.222601104873     Delta-E=       -0.006660512433 Rises=F Damp=T
 DIIS: error= 4.23D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -679.222601104873     IErMin= 2 ErrMin= 4.23D-02
 ErrMax= 4.23D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-02 BMatP= 1.11D-01
 IDIUse=3 WtCom= 5.77D-01 WtEn= 4.23D-01
 Coeff-Com: -0.285D+01 0.385D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.164D+01 0.264D+01
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=2.09D-02 MaxDP=7.57D+00 DE=-6.66D-03 OVMax= 9.20D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.44D-03    CP:  1.70D+00  3.00D+00
 E= -679.242219109601     Delta-E=       -0.019618004728 Rises=F Damp=F
 DIIS: error= 1.63D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -679.242219109601     IErMin= 3 ErrMin= 1.63D-03
 ErrMax= 1.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-03 BMatP= 6.25D-02
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.63D-02
 Coeff-Com: -0.101D+01 0.134D+01 0.669D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.991D+00 0.132D+01 0.675D+00
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=1.10D-03 MaxDP=3.33D-01 DE=-1.96D-02 OVMax= 8.97D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.65D-04    CP:  1.69D+00  3.00D+00  9.35D-01
 E= -679.242699746380     Delta-E=       -0.000480636780 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -679.242699746380     IErMin= 4 ErrMin= 1.17D-03
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-04 BMatP= 1.08D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02
 Coeff-Com: -0.257D+00 0.338D+00 0.433D+00 0.487D+00
 Coeff-En:   0.000D+00 0.000D+00 0.326D+00 0.674D+00
 Coeff:     -0.254D+00 0.334D+00 0.432D+00 0.489D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=6.64D-04 MaxDP=2.55D-01 DE=-4.81D-04 OVMax= 3.72D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.35D-04    CP:  1.71D+00  3.00D+00  1.00D+00  7.44D-01
 E= -679.243064741063     Delta-E=       -0.000364994683 Rises=F Damp=F
 DIIS: error= 1.20D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -679.243064741063     IErMin= 5 ErrMin= 1.20D-04
 ErrMax= 1.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-05 BMatP= 5.10D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.20D-03
 Coeff-Com:  0.287D-01-0.395D-01 0.124D+00 0.200D+00 0.687D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.287D-01-0.395D-01 0.123D+00 0.200D+00 0.688D+00
 Gap=     0.357 Goal=   None    Shift=    0.000
 RMSDP=1.01D-04 MaxDP=3.80D-02 DE=-3.65D-04 OVMax= 5.03D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.74D-05    CP:  1.71D+00  3.00D+00  1.01D+00  7.24D-01  1.07D+00
 E= -679.243078124605     Delta-E=       -0.000013383542 Rises=F Damp=F
 DIIS: error= 3.94D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -679.243078124605     IErMin= 6 ErrMin= 3.94D-05
 ErrMax= 3.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-06 BMatP= 1.58D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.480D-01-0.638D-01-0.213D-01 0.598D-02 0.226D+00 0.805D+00
 Coeff:      0.480D-01-0.638D-01-0.213D-01 0.598D-02 0.226D+00 0.805D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.05D-05 MaxDP=3.16D-03 DE=-1.34D-05 OVMax= 2.25D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.41D-06    CP:  1.71D+00  3.00D+00  1.01D+00  7.40D-01  1.12D+00
                    CP:  1.03D+00
 E= -679.243079485505     Delta-E=       -0.000001360899 Rises=F Damp=F
 DIIS: error= 1.00D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -679.243079485505     IErMin= 7 ErrMin= 1.00D-05
 ErrMax= 1.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.57D-08 BMatP= 1.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-01-0.171D-01-0.132D-01-0.497D-02 0.368D-01 0.242D+00
 Coeff-Com:  0.743D+00
 Coeff:      0.129D-01-0.171D-01-0.132D-01-0.497D-02 0.368D-01 0.242D+00
 Coeff:      0.743D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=8.67D-06 MaxDP=3.25D-03 DE=-1.36D-06 OVMax= 7.02D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.38D-06    CP:  1.71D+00  3.00D+00  1.01D+00  7.44D-01  1.12D+00
                    CP:  1.04D+00  9.43D-01
 E= -679.243079559032     Delta-E=       -0.000000073527 Rises=F Damp=F
 DIIS: error= 2.96D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -679.243079559032     IErMin= 8 ErrMin= 2.96D-06
 ErrMax= 2.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.11D-09 BMatP= 6.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.258D-02 0.346D-02-0.163D-02-0.220D-02-0.199D-01-0.306D-01
 Coeff-Com:  0.210D+00 0.843D+00
 Coeff:     -0.258D-02 0.346D-02-0.163D-02-0.220D-02-0.199D-01-0.306D-01
 Coeff:      0.210D+00 0.843D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=3.54D-06 MaxDP=1.32D-03 DE=-7.35D-08 OVMax= 3.78D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.85D-07    CP:  1.71D+00  3.00D+00  1.01D+00  7.45D-01  1.12D+00
                    CP:  1.04D+00  9.96D-01  1.15D+00
 E= -679.243079568745     Delta-E=       -0.000000009713 Rises=F Damp=F
 DIIS: error= 5.55D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -679.243079568745     IErMin= 9 ErrMin= 5.55D-07
 ErrMax= 5.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-10 BMatP= 6.11D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.757D-03 0.100D-02 0.907D-03 0.202D-03-0.209D-02-0.147D-01
 Coeff-Com: -0.558D-01 0.346D-01 0.104D+01
 Coeff:     -0.757D-03 0.100D-02 0.907D-03 0.202D-03-0.209D-02-0.147D-01
 Coeff:     -0.558D-01 0.346D-01 0.104D+01
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=3.33D-07 MaxDP=9.35D-05 DE=-9.71D-09 OVMax= 1.35D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.49D-07    CP:  1.71D+00  3.00D+00  1.01D+00  7.45D-01  1.12D+00
                    CP:  1.04D+00  9.96D-01  1.20D+00  1.11D+00
 E= -679.243079569299     Delta-E=       -0.000000000554 Rises=F Damp=F
 DIIS: error= 1.24D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -679.243079569299     IErMin=10 ErrMin= 1.24D-07
 ErrMax= 1.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.70D-12 BMatP= 1.96D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-03-0.187D-03 0.256D-05 0.847D-04 0.934D-03 0.192D-02
 Coeff-Com: -0.683D-02-0.315D-01-0.465D-01 0.108D+01
 Coeff:      0.140D-03-0.187D-03 0.256D-05 0.847D-04 0.934D-03 0.192D-02
 Coeff:     -0.683D-02-0.315D-01-0.465D-01 0.108D+01
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=6.55D-08 MaxDP=1.71D-05 DE=-5.54D-10 OVMax= 3.33D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.66D-08    CP:  1.71D+00  3.00D+00  1.01D+00  7.45D-01  1.12D+00
                    CP:  1.04D+00  9.96D-01  1.20D+00  1.12D+00  1.15D+00
 E= -679.243079569400     Delta-E=       -0.000000000100 Rises=F Damp=F
 DIIS: error= 4.28D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -679.243079569400     IErMin=11 ErrMin= 4.28D-08
 ErrMax= 4.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.29D-13 BMatP= 6.70D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.581D-04-0.770D-04-0.666D-04 0.202D-05 0.200D-03 0.114D-02
 Coeff-Com:  0.332D-02-0.526D-02-0.778D-01 0.881D-01 0.990D+00
 Coeff:      0.581D-04-0.770D-04-0.666D-04 0.202D-05 0.200D-03 0.114D-02
 Coeff:      0.332D-02-0.526D-02-0.778D-01 0.881D-01 0.990D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.07D-08 MaxDP=5.04D-06 DE=-1.00D-10 OVMax= 9.29D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.94D-09    CP:  1.71D+00  3.00D+00  1.01D+00  7.45D-01  1.12D+00
                    CP:  1.04D+00  9.96D-01  1.20D+00  1.13D+00  1.16D+00
                    CP:  1.13D+00
 E= -679.243079569277     Delta-E=        0.000000000123 Rises=F Damp=F
 DIIS: error= 1.73D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -679.243079569400     IErMin=12 ErrMin= 1.73D-08
 ErrMax= 1.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-13 BMatP= 7.29D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-05 0.211D-05-0.780D-05-0.821D-05-0.354D-04 0.686D-05
 Coeff-Com:  0.967D-03 0.150D-02-0.776D-02-0.569D-01 0.125D+00 0.937D+00
 Coeff:     -0.154D-05 0.211D-05-0.780D-05-0.821D-05-0.354D-04 0.686D-05
 Coeff:      0.967D-03 0.150D-02-0.776D-02-0.569D-01 0.125D+00 0.937D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=6.37D-09 MaxDP=2.16D-06 DE= 1.23D-10 OVMax= 3.60D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.67D-09    CP:  1.71D+00  3.00D+00  1.01D+00  7.45D-01  1.12D+00
                    CP:  1.04D+00  9.96D-01  1.20D+00  1.13D+00  1.16D+00
                    CP:  1.17D+00  1.09D+00
 E= -679.243079569309     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 7.81D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -679.243079569400     IErMin=13 ErrMin= 7.81D-09
 ErrMax= 7.81D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-14 BMatP= 1.06D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-04 0.239D-04 0.146D-04-0.662D-05-0.812D-04-0.331D-03
 Coeff-Com: -0.328D-03 0.256D-02 0.175D-01-0.617D-01-0.209D+00 0.600D+00
 Coeff-Com:  0.651D+00
 Coeff:     -0.180D-04 0.239D-04 0.146D-04-0.662D-05-0.812D-04-0.331D-03
 Coeff:     -0.328D-03 0.256D-02 0.175D-01-0.617D-01-0.209D+00 0.600D+00
 Coeff:      0.651D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=3.65D-09 MaxDP=1.25D-06 DE=-3.14D-11 OVMax= 1.95D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.44D-09    CP:  1.71D+00  3.00D+00  1.01D+00  7.45D-01  1.12D+00
                    CP:  1.04D+00  9.96D-01  1.20D+00  1.12D+00  1.16D+00
                    CP:  1.18D+00  1.15D+00  9.04D-01
 E= -679.243079569334     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 2.19D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -679.243079569400     IErMin=14 ErrMin= 2.19D-09
 ErrMax= 2.19D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-15 BMatP= 7.41D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.458D-06-0.615D-06 0.331D-06 0.128D-05 0.529D-05 0.108D-04
 Coeff-Com: -0.106D-03-0.208D-03 0.315D-03 0.824D-02-0.766D-02-0.120D+00
 Coeff-Com: -0.214D-01 0.114D+01
 Coeff:      0.458D-06-0.615D-06 0.331D-06 0.128D-05 0.529D-05 0.108D-04
 Coeff:     -0.106D-03-0.208D-03 0.315D-03 0.824D-02-0.766D-02-0.120D+00
 Coeff:     -0.214D-01 0.114D+01
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=6.93D-10 MaxDP=6.87D-08 DE=-2.57D-11 OVMax= 6.68D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -679.243079569     A.U. after   14 cycles
            NFock= 14  Conv=0.69D-09     -V/T= 2.1208
 KE= 6.060367167764D+02 PE=-3.902742489704D+03 EE= 1.419277582647D+03
 Leave Link  502 at Mon Jul 19 19:36:19 2021, MaxMem=  5637144576 cpu:           21280.0 elap:            2670.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.43705603D+03

 Leave Link  801 at Mon Jul 19 19:36:20 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 2.59D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.82D-01 4.33D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 6.49D-02 6.13D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 1.18D-02 2.63D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 2.21D-03 1.29D-02.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 3.19D-04 5.21D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 8.79D-05 3.27D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 1.44D-05 1.59D-03.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 1.43D-06 4.16D-04.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 1.40D-07 1.47D-04.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 1.16D-08 3.20D-05.
      9 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 7.31D-10 6.05D-06.
      5 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 3.46D-11 1.50D-06.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 2.32D-12 4.09D-07.
      1 vectors produced by pass 14 Test12= 4.72D-13 8.33D-09 XBig12= 1.80D-13 1.08D-07.
      1 vectors produced by pass 15 Test12= 4.72D-13 8.33D-09 XBig12= 6.21D-15 1.81D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   138 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.157122D+03
      2 -0.266341D-02  0.157116D+03
      3 -0.499127D-04 -0.338474D-02  0.129330D+03
 Isotropic polarizability for W=    0.085645      147.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.611708D+02  0.917265D+02  0.103041D-01
      2  -0.611893D+02 -0.917239D+02 -0.168327D-01
      3   0.185182D-01 -0.259592D-02  0.652862D-02
      4   0.917089D+02 -0.612147D+02  0.240710D-02
      5  -0.179104D-01  0.550736D+01  0.415095D-02
      6  -0.550343D+01 -0.392877D-01 -0.124480D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.360291D+01  0.365404D-01 -0.212969D-02
      2  -0.182220D-01 -0.358379D+01  0.419043D-03
      3  -0.998572D-02 -0.146379D-01 -0.214747D-01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.550495D+01 -0.224550D-01  0.985213D-02
      2   0.282145D-01  0.550584D+01 -0.143673D-01
      3  -0.175472D-01  0.253707D-01 -0.110108D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.426393D+00 -0.385967D-02  0.206697D-02
      2  -0.385967D-02 -0.435734D+00  0.493015D-02
      3   0.206697D-02  0.493015D-02 -0.634605D+01
 OR G Eigenvalues:    -6.3461    -0.4371    -0.4250  Iso=     2.4027
 Eigenvectors:
   (1)  -0.000350  -0.000834   1.000000
   (2)   0.338466   0.940978   0.000904
   (3)   0.940979  -0.338466   0.000047
 w=    0.085645 a.u., Optical Rotation Beta=      2.4027 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      402.38 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.25D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.14D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.82D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 8.53D-01 4.17D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.60D-02 3.05D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 6.02D-04 4.49D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 1.45D-05 6.40D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 2.08D-07 8.97D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 2.43D-09 8.44D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 6.27D-11 1.55D-06.
     30 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 1.21D-12 2.31D-07.
     13 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 2.74D-14 2.92D-08.
      3 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 4.23D-15 7.62D-09.
      1 vectors produced by pass 11 Test12= 7.86D-14 2.78D-09 XBig12= 1.20D-15 4.89D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   287 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.13D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.13D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.09D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157122D+03 -0.266341D-02 -0.499127D-04
      2  -0.266341D-02  0.157116D+03 -0.338474D-02
      3  -0.499127D-04 -0.338474D-02  0.129330D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.360291D+01  0.365404D-01 -0.212969D-02
      2  -0.182220D-01 -0.358379D+01  0.419043D-03
      3  -0.998572D-02 -0.146379D-01 -0.214747D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.611708D+02  0.917265D+02  0.103041D-01
      2  -0.611893D+02 -0.917239D+02 -0.168327D-01
      3   0.185182D-01 -0.259592D-02  0.652862D-02
      4   0.917089D+02 -0.612147D+02  0.240710D-02
      5  -0.179104D-01  0.550736D+01  0.415095D-02
      6  -0.550343D+01 -0.392877D-01 -0.124480D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270854D+01 -0.955726D+00 -0.251378D+01 -0.113548D+01 -0.280947D+01
      2  -0.955726D+00 -0.446463D+01  0.945535D+00 -0.280947D+01  0.695184D+01
      3  -0.251378D+01  0.945535D+00  0.781081D+00  0.380487D+00 -0.365824D+01
                 6             7             8             9            10 
      1   0.380487D+00 -0.196218D+01  0.653039D+00  0.907138D+00 -0.138195D+01
      2  -0.365824D+01  0.653039D+00 -0.258165D+01  0.748700D+00  0.356783D+01
      3   0.620121D+00  0.907138D+00  0.748700D+00  0.219259D+00  0.315198D+01
                11            12            13            14            15 
      1   0.356783D+01  0.315198D+01  0.276358D+01  0.376662D+01  0.594088D+00
      2   0.522769D+01  0.115817D+01  0.376662D+01  0.192514D+01  0.302291D+01
      3   0.115817D+01 -0.481506D+00  0.594088D+00  0.302291D+01  0.877077D+00
                16            17            18            19            20 
      1   0.251609D+01  0.682437D+00 -0.551058D+00  0.718253D+00 -0.212197D+01
      2   0.682437D+00  0.203147D+01  0.104151D+01 -0.212197D+01 -0.235771D+01
      3  -0.551058D+00  0.104151D+01 -0.219976D+00 -0.179625D+01 -0.736884D+00
                21            22            23            24            25 
      1  -0.179625D+01 -0.349951D+01 -0.519777D+01 -0.207078D+01 -0.220348D+01
      2  -0.736884D+00 -0.519777D+01 -0.643800D+01 -0.446132D+01 -0.124419D+01
      3  -0.102477D+01 -0.207078D+01 -0.446132D+01 -0.185860D+01 -0.145431D+01
                26            27            28            29            30 
      1  -0.124419D+01 -0.145431D+01 -0.109655D+01 -0.160797D+01 -0.287097D-02
      2  -0.251813D+01 -0.163174D+01 -0.160797D+01  0.105735D+01 -0.169262D+01
      3  -0.163174D+01  0.147793D+01 -0.287097D-02 -0.169262D+01 -0.537923D-02
                31            32            33            34            35 
      1  -0.162913D+01  0.108852D+01  0.170121D+01  0.147431D-01 -0.654040D-02
      2   0.108852D+01  0.162812D+01 -0.115868D-01 -0.654040D-02  0.100689D-01
      3   0.170121D+01 -0.115868D-01  0.373339D-02 -0.196759D-02 -0.644225D-03
                36            37            38            39            40 
      1  -0.196759D-02 -0.173093D+01  0.627245D+00  0.119293D+01  0.441597D+00
      2  -0.644225D-03  0.627245D+00 -0.552294D+00  0.614012D+00  0.259994D+01
      3  -0.138849D-02  0.119293D+01  0.614012D+00  0.237454D+00 -0.719278D+00
                41            42            43            44            45 
      1   0.259994D+01 -0.719278D+00  0.137108D+01 -0.769902D+00  0.722767D+00
      2  -0.102371D+02  0.506651D+01 -0.769902D+00  0.334366D+01 -0.206280D+01
      3   0.506651D+01 -0.210389D+01  0.722767D+00 -0.206280D+01 -0.147908D+01
                46            47            48            49            50 
      1   0.476360D+01  0.502613D+01  0.405282D+01  0.240774D+01  0.313871D+01
      2   0.502613D+01  0.487657D+01  0.236793D+01  0.313871D+01  0.526147D+00
      3   0.405282D+01  0.236793D+01  0.170739D+01  0.103919D+01  0.220318D+01
                51            52            53            54            55 
      1   0.103919D+01  0.219333D+01  0.124026D+01  0.142983D+01 -0.406502D+00
      2   0.220318D+01  0.124026D+01  0.253295D+01  0.166294D+01 -0.292830D+01
      3   0.126518D+01  0.142983D+01  0.166294D+01 -0.147566D+01 -0.279431D+01
                56            57            58            59            60 
      1  -0.292830D+01 -0.279431D+01 -0.427724D+01 -0.473044D+01 -0.111086D+01
      2  -0.374229D+01 -0.543948D+00 -0.473044D+01 -0.151005D+00 -0.337442D+01
      3  -0.543948D+00 -0.929057D+00 -0.111086D+01 -0.337442D+01  0.361942D+00
                61            62            63            64            65 
      1  -0.185864D+01 -0.594385D+00 -0.110381D+01 -0.801375D+01  0.140308D+01
      2  -0.594385D+00 -0.268254D+01  0.408570D+00  0.140308D+01  0.202086D+01
      3  -0.110381D+01  0.408570D+00  0.221399D+00  0.381376D+01 -0.210067D+00
                66            67            68            69            70 
      1   0.381376D+01  0.307901D+01  0.205858D+01 -0.776756D+00  0.274260D+01
      2  -0.210067D+00  0.205858D+01 -0.208587D+01  0.236049D+01 -0.550152D+00
      3  -0.518939D+00 -0.776756D+00  0.236049D+01 -0.851568D+00 -0.626046D+00
                71            72            73            74            75 
      1  -0.550152D+00 -0.626046D+00  0.105624D+02 -0.101418D+01 -0.501937D+01
      2   0.180443D+01 -0.996518D+00 -0.101418D+01 -0.112603D+01  0.208940D+00
      3  -0.996518D+00 -0.220204D+00 -0.501937D+01  0.208940D+00  0.212574D+01
                76            77            78            79            80 
      1   0.211982D+01 -0.904918D+00 -0.111888D+01 -0.352075D+01  0.486603D+00
      2  -0.904918D+00  0.140295D+01 -0.124492D+01  0.486603D+00 -0.120859D+01
      3  -0.111888D+01 -0.124492D+01  0.343421D-01  0.214496D+01 -0.445854D+00
                81            82            83            84            85 
      1   0.214496D+01 -0.114966D+01  0.215283D+01 -0.258187D+01  0.396744D+00
      2  -0.445854D+00  0.215283D+01 -0.661996D+01  0.251956D+01 -0.401421D+01
      3   0.147562D+01 -0.258187D+01  0.251956D+01 -0.109776D+01  0.119012D+01
                86            87            88            89            90 
      1  -0.401421D+01  0.119012D+01 -0.137030D+01  0.756223D+00 -0.688911D+00
      2   0.600904D+01 -0.368167D+01  0.756223D+00 -0.337111D+01  0.207298D+01
      3  -0.368167D+01  0.181337D+01 -0.688911D+00  0.207298D+01  0.147888D+01
                91            92            93            94            95 
      1  -0.121894D+01  0.996272D+00  0.229820D+01  0.136436D+00  0.478895D+01
      2   0.996272D+00  0.336629D+01 -0.103357D+00  0.478895D+01 -0.581819D+01
      3   0.229820D+01 -0.103357D+00  0.100317D+01 -0.665037D+00  0.387946D+01
                96            97            98            99           100 
      1  -0.665037D+00  0.156159D+01 -0.129616D+00  0.117644D+01  0.729435D+01
      2   0.387946D+01 -0.129616D+00  0.298483D+01 -0.400683D-01 -0.359898D+01
      3  -0.199980D-01  0.117644D+01 -0.400683D-01 -0.221330D+00 -0.394509D+01
               101           102           103           104           105 
      1  -0.359898D+01 -0.394509D+01 -0.207609D+01 -0.205798D+01 -0.121326D+00
      2  -0.138937D+01  0.445375D+00 -0.205798D+01  0.692152D+00 -0.222265D+01
      3   0.445375D+00  0.148941D+00 -0.121326D+00 -0.222265D+01 -0.987663D+00
               106           107           108           109           110 
      1  -0.298890D+01 -0.621229D-01  0.196377D+00 -0.781290D+01  0.328586D+01
      2  -0.621229D-01 -0.154828D+01 -0.116172D+01  0.328586D+01  0.472421D+00
      3   0.196377D+00 -0.116172D+01  0.223201D+00  0.414311D+01 -0.988252D+00
               111           112           113           114           115 
      1   0.414311D+01  0.610935D+01 -0.948108D+00 -0.231873D+01  0.350681D+01
      2  -0.988252D+00 -0.948108D+00  0.761318D+00  0.211698D+01 -0.462322D+00
      3  -0.194583D+01 -0.231873D+01  0.211698D+01  0.845236D+00 -0.215481D+01
               116           117           118           119           120 
      1  -0.462322D+00 -0.215481D+01  0.114269D+02  0.153655D+00 -0.309221D+01
      2   0.118688D+01  0.405449D+00  0.153655D+00  0.102342D+01 -0.392466D-02
      3   0.405449D+00 -0.147990D+01 -0.309221D+01 -0.392466D-02  0.212095D+01
               121           122           123           124           125 
      1  -0.225706D+01  0.111201D+01  0.823925D+00 -0.309654D+01 -0.151549D-01
      2   0.111201D+01  0.107639D+00 -0.740890D+00 -0.151549D-01 -0.506607D+00
      3   0.823925D+00 -0.740890D+00 -0.257831D+00  0.247397D+01  0.186594D+00
               126           127           128           129           130 
      1   0.247397D+01  0.100437D+00  0.576583D+00 -0.873259D+00  0.127649D+01
      2   0.186594D+00  0.576583D+00 -0.689439D+00  0.240512D+00  0.519166D+00
      3  -0.154122D+01 -0.873259D+00  0.240512D+00 -0.372765D+00 -0.242773D+00
               131           132           133           134           135 
      1   0.519166D+00 -0.242773D+00 -0.141418D+01 -0.386631D+00  0.446136D+00
      2   0.463481D+01 -0.216787D+01 -0.386631D+00 -0.179764D+01  0.165480D+01
      3  -0.216787D+01  0.235612D+01  0.446136D+00  0.165480D+01 -0.221630D+01
               136           137           138           139           140 
      1   0.592858D+01  0.308250D+01  0.182131D+01  0.494157D+01  0.417075D+01
      2   0.308250D+01  0.263169D+01  0.827020D+00  0.417075D+01  0.434879D+01
      3   0.182131D+01  0.827020D+00  0.152349D+01  0.165478D+01  0.200877D+01
               141           142           143           144           145 
      1   0.165478D+01  0.214737D+01  0.124579D+01  0.207400D+01  0.214663D+01
      2   0.200877D+01  0.124579D+01  0.145199D+01  0.135862D+01 -0.881392D+00
      3   0.149611D+01  0.207400D+01  0.135862D+01  0.154005D+01  0.135680D+01
               146           147           148           149           150 
      1  -0.881392D+00  0.135680D+01 -0.217551D+01  0.153664D+01 -0.867896D+00
      2   0.100897D+01 -0.384163D+00  0.153664D+01 -0.286858D+01  0.168533D+01
      3  -0.384163D+00  0.114307D+01 -0.867896D+00  0.168533D+01 -0.209415D+01
               151           152           153           154           155 
      1   0.193488D+01 -0.284028D+00  0.136275D+01 -0.229749D+01  0.188943D+01
      2  -0.284028D+00  0.128355D+01 -0.103975D+01  0.188943D+01 -0.207396D+01
      3   0.136275D+01 -0.103975D+01  0.221543D+01 -0.974101D+00  0.400888D+00
               156           157           158           159           160 
      1  -0.974101D+00  0.301733D+01 -0.420512D+01  0.122818D+01 -0.116810D+01
      2   0.400888D+00 -0.420512D+01  0.884366D+01 -0.286048D+01  0.112998D+01
      3  -0.838629D+00  0.122818D+01 -0.286048D+01  0.196555D+01 -0.139932D+01
               161           162           163           164           165 
      1   0.112998D+01 -0.139932D+01 -0.368202D+01 -0.714404D+00 -0.184624D+01
      2  -0.243617D+01  0.204889D+01 -0.714404D+00 -0.115350D+01 -0.317177D+00
      3   0.204889D+01 -0.154126D+01 -0.184624D+01 -0.317177D+00 -0.185557D+01
               166           167           168           169           170 
      1  -0.210982D+01 -0.115069D+01 -0.800928D+00 -0.204010D+01  0.294308D-01
      2  -0.115069D+01 -0.133951D+01 -0.119869D+01  0.294308D-01 -0.118068D+01
      3  -0.800928D+00 -0.119869D+01 -0.150054D+01 -0.165781D+01 -0.440771D+00
               171           172           173           174           175 
      1  -0.165781D+01 -0.100887D+02  0.351090D+01  0.303560D+01  0.124641D+01
      2  -0.440771D+00  0.351090D+01 -0.223898D+01 -0.952368D+00 -0.139883D+01
      3  -0.222065D+01  0.303560D+01 -0.952368D+00 -0.205663D+01 -0.123577D+00
               176           177           178           179           180 
      1  -0.139883D+01 -0.123577D+00  0.270486D+01 -0.923166D+00 -0.221337D+01
      2   0.151698D+01  0.792381D+00 -0.923166D+00  0.893642D+00  0.111623D+01
      3   0.792381D+00  0.570848D+00 -0.221337D+01  0.111623D+01  0.153803D+01
               181           182           183           184           185 
      1   0.918029D+00  0.949631D+00  0.106208D+01  0.114793D+01  0.484710D+00
      2   0.949631D+00  0.187438D+01  0.696696D+00  0.484710D+00  0.411757D+01
      3   0.106208D+01  0.696696D+00  0.124191D+01  0.211818D+00  0.198230D+01
               186           187           188           189           190 
      1   0.211818D+00  0.120426D+01 -0.142019D+00  0.218394D+00 -0.299943D+01
      2   0.198230D+01 -0.142019D+00  0.202055D+01  0.170060D+01 -0.358258D+01
      3   0.203831D+01  0.218394D+00  0.170060D+01  0.221791D+01 -0.168444D+01
               191           192           193           194           195 
      1  -0.358258D+01 -0.168444D+01 -0.230044D+01 -0.304507D+01 -0.809793D+00
      2  -0.508754D+01 -0.163765D+01 -0.304507D+01 -0.740646D+01 -0.214962D+01
      3  -0.163765D+01 -0.128456D+01 -0.809793D+00 -0.214962D+01 -0.170819D+01
               196           197           198           199           200 
      1  -0.114131D+01 -0.111441D+01 -0.107569D+01  0.339331D+01 -0.151291D+01
      2  -0.111441D+01 -0.246216D+01 -0.223574D+01 -0.151291D+01  0.202038D+01
      3  -0.107569D+01 -0.223574D+01 -0.154130D+01 -0.184427D+01  0.802954D+00
               201           202           203           204           205 
      1  -0.184427D+01 -0.817857D+00  0.805533D+00  0.318783D+00 -0.136930D+01
      2   0.802954D+00  0.805533D+00 -0.163983D+01 -0.119956D+01  0.358768D+00
      3   0.222719D+01  0.318783D+00 -0.119956D+01 -0.856458D+00  0.121031D+01
               206           207           208           209           210 
      1   0.358768D+00  0.121031D+01  0.372767D+00 -0.152712D+01  0.886797D+00
      2  -0.184888D+01 -0.121498D+01 -0.152712D+01  0.339226D+01 -0.111498D+01
      3  -0.121498D+01 -0.221899D+01  0.886797D+00 -0.111498D+01  0.533164D+00
               211           212           213           214           215 
      1  -0.112327D+01  0.101211D+01 -0.287339D+00  0.546492D+00 -0.321558D+00
      2   0.101211D+01 -0.109417D+02  0.294272D+01 -0.321558D+00  0.305357D+01
      3  -0.287339D+00  0.294272D+01 -0.206693D+01  0.139225D+00 -0.247484D+01
               216           217           218           219           220 
      1   0.139225D+00 -0.451674D+01 -0.872986D+00  0.214580D+01  0.230909D+00
      2  -0.247484D+01 -0.872986D+00 -0.143683D+01  0.414031D+00 -0.574062D+00
      3   0.153864D+01  0.214580D+01  0.414031D+00 -0.238633D+01 -0.712130D-01
               221           222           223           224           225 
      1  -0.574062D+00 -0.712130D-01  0.169399D+01  0.424370D+00 -0.158255D+01
      2  -0.450185D+00  0.898158D+00  0.424370D+00  0.153128D+01 -0.661161D+00
      3   0.898158D+00  0.579956D-01 -0.158255D+01 -0.661161D+00  0.221833D+01
               226           227           228           229           230 
      1   0.511954D+01 -0.170710D+01  0.821122D+00 -0.186589D+01  0.998749D+00
      2  -0.170710D+01  0.346846D+01 -0.125865D+01  0.998749D+00 -0.569571D+00
      3   0.821122D+00 -0.125865D+01  0.140717D+01 -0.186544D+00 -0.470008D+00
               231           232           233           234           235 
      1  -0.186544D+00 -0.744115D-02  0.891967D-01  0.557799D+00  0.646917D+00
      2  -0.470008D+00  0.891967D-01 -0.189077D+01  0.444141D+00 -0.368141D+00
      3  -0.143358D+00  0.557799D+00  0.444141D+00  0.237096D+00  0.665151D+00
               236           237           238           239           240 
      1  -0.368141D+00  0.665151D+00 -0.411499D+00 -0.419547D+00  0.217912D+00
      2  -0.955366D+00  0.304456D+00 -0.419547D+00  0.123997D+01 -0.126885D+00
      3   0.304456D+00 -0.203184D+00  0.217912D+00 -0.126885D+00  0.652175D+00
               241           242           243           244           245 
      1   0.102995D+01 -0.870855D-01  0.975896D+00 -0.653190D+01 -0.667731D+00
      2  -0.870855D-01  0.216742D+01 -0.124668D+01 -0.667731D+00 -0.233302D+01
      3   0.975896D+00 -0.124668D+01  0.708816D+01 -0.113771D+01 -0.590290D+00
               246           247           248           249           250 
      1  -0.113771D+01  0.123460D+00  0.134808D-01  0.481430D+00  0.350979D+00
      2  -0.590290D+00  0.134808D-01  0.907436D+00  0.793078D+00  0.730136D+00
      3  -0.135445D+01  0.481430D+00  0.793078D+00  0.407673D+00 -0.344063D+00
               251           252           253           254           255 
      1   0.730136D+00 -0.344063D+00 -0.575135D+00  0.619182D+00 -0.364493D+00
      2   0.155866D+01  0.625749D+00  0.619182D+00  0.117344D+01  0.507660D+00
      3   0.625749D+00 -0.232323D+00 -0.364493D+00  0.507660D+00  0.434416D+00
               256           257           258           259           260 
      1   0.374175D+00  0.697169D+00  0.422463D+00 -0.125860D+01 -0.462902D+00
      2   0.697169D+00  0.270837D+00 -0.172750D+00 -0.462902D+00 -0.193843D+01
      3   0.422463D+00 -0.172750D+00  0.524453D+00 -0.138036D+01 -0.777183D+00
               261           262           263           264           265 
      1  -0.138036D+01 -0.419298D+01 -0.170107D+01  0.478979D+00 -0.376471D+01
      2  -0.777183D+00 -0.170107D+01 -0.219629D+01  0.383426D+00 -0.828167D+00
      3  -0.708720D+01  0.478979D+00  0.383426D+00 -0.826752D+00  0.145639D+01
               266           267           268           269           270 
      1  -0.828167D+00  0.145639D+01 -0.150092D+01  0.772049D+00  0.106580D+00
      2  -0.246066D+01 -0.126561D+00  0.772049D+00 -0.404784D+00 -0.704931D+00
      3  -0.126561D+00 -0.114932D+01  0.106580D+00 -0.704931D+00  0.236662D+00
               271           272           273           274           275 
      1   0.115012D+01 -0.876121D+00 -0.155367D+00 -0.389040D+00 -0.508393D+00
      2  -0.876121D+00 -0.277547D+00  0.255531D+00 -0.508393D+00  0.244930D+00
      3  -0.155367D+00  0.255531D+00  0.668191D+00  0.168032D+00  0.693488D+00
               276           277           278           279           280 
      1   0.168032D+00  0.195750D+01 -0.447778D+00 -0.156525D+01  0.201400D+01
      2   0.693488D+00 -0.447778D+00  0.123784D+01 -0.219151D+00  0.443091D+00
      3  -0.147711D+00 -0.156525D+01 -0.219151D+00  0.708763D+01  0.356221D+00
               281           282           283           284           285 
      1   0.443091D+00  0.356221D+00  0.207335D+01  0.145711D+01 -0.270837D+00
      2   0.331827D+01 -0.134270D+01  0.145711D+01  0.508634D+01 -0.699149D+00
      3  -0.134270D+01  0.103032D+01 -0.270837D+00 -0.699149D+00  0.968023D+00
               286           287           288           289           290 
      1   0.621357D+00 -0.887959D+00  0.714535D+00 -0.363179D+00  0.269297D+00
      2  -0.887959D+00  0.129066D+01 -0.151253D-01  0.269297D+00  0.627634D+00
      3   0.714535D+00 -0.151253D-01 -0.232943D+00 -0.623861D+00 -0.274370D+00
               291           292           293           294           295 
      1  -0.623861D+00 -0.205912D-01  0.107572D+01 -0.358572D+00 -0.136855D+01
      2  -0.274370D+00  0.107572D+01 -0.817994D+00  0.838849D-01  0.526006D+00
      3   0.241727D+00 -0.358572D+00  0.838849D-01 -0.634379D+00  0.193954D-01
               296           297           298           299           300 
      1   0.526006D+00  0.193954D-01 -0.118307D+01 -0.121551D+00 -0.774004D+00
      2  -0.183186D+01  0.158728D+01 -0.121551D+00 -0.101334D+01 -0.735515D+00
      3   0.158728D+01 -0.708686D+01 -0.774004D+00 -0.735515D+00 -0.581538D+00
               301           302           303           304           305 
      1   0.209613D+01  0.871276D-01  0.339261D+00 -0.134739D+01 -0.861083D+00
      2   0.871276D-01  0.655548D+01  0.112572D+01 -0.861083D+00 -0.552199D+00
      3   0.339261D+00  0.112572D+01  0.129126D+01 -0.662862D+00  0.259562D+00
               306           307           308           309           310 
      1  -0.662862D+00  0.351281D-01 -0.546155D+00  0.296901D+00 -0.991346D+00
      2   0.259562D+00 -0.546155D+00 -0.599922D+00 -0.430012D+00 -0.904645D+00
      3   0.237229D+00  0.296901D+00 -0.430012D+00 -0.464632D+00 -0.517421D+00
               311           312           313           314           315 
      1  -0.904645D+00 -0.517421D+00  0.180669D+01  0.534614D+00  0.590946D+00
      2   0.304597D+00  0.240040D+00  0.534614D+00  0.138899D+01  0.146310D+01
      3   0.240040D+00 -0.507999D+00  0.590946D+00  0.146310D+01  0.708827D+01
               316           317           318           319           320 
      1   0.135823D+01 -0.136377D+01  0.262885D+00 -0.378929D+01  0.170098D+01
      2  -0.136377D+01  0.218877D+01  0.329476D+00  0.170098D+01 -0.439707D+01
      3   0.262885D+00  0.329476D+00  0.324789D+00  0.140224D+01 -0.609203D+00
               321           322           323           324           325 
      1   0.140224D+01  0.188246D+01  0.157444D+00 -0.367900D+00 -0.141591D+01
      2  -0.609203D+00  0.157444D+00  0.159942D-01 -0.612048D+00  0.116663D+00
      3  -0.137691D+01 -0.367900D+00 -0.612048D+00 -0.235456D+00  0.181041D+00
               326           327           328           329           330 
      1   0.116663D+00  0.181041D+00  0.651741D+00  0.584828D+00 -0.191757D+00
      2   0.559157D+00 -0.105255D+00  0.584828D+00 -0.454088D+00 -0.718917D+00
      3  -0.105255D+00 -0.671867D+00 -0.191757D+00 -0.718917D+00  0.115979D+00
               331           332           333 
      1  -0.217037D+01 -0.633420D-01  0.136264D+01
      2  -0.633420D-01 -0.102796D+01 -0.804019D+00
      3   0.136264D+01 -0.804019D+00 -0.708767D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.108200D+02 -0.505561D+01  0.490354D+01 -0.496925D+01  0.925102D-01
      2   0.299446D+00  0.232533D+01  0.339619D+01  0.152651D+01  0.204216D+01
      3  -0.906096D+01  0.120418D+01  0.931886D+01  0.566072D+01  0.748385D+01
                 6             7             8             9            10 
      1  -0.890867D+01 -0.498442D+00 -0.206298D+01 -0.120171D+01  0.494707D+01
      2   0.929744D+00  0.639691D+00 -0.601151D+00 -0.124091D+00 -0.292736D+01
      3   0.123981D+01  0.100642D+02  0.996231D+00 -0.282831D+01  0.907558D+01
                11            12            13            14            15 
      1  -0.730622D+01 -0.627032D+01 -0.693055D+01  0.589022D+01 -0.670698D+01
      2   0.178274D+01  0.560844D+01  0.248731D+01  0.979706D+00  0.429805D+00
      3  -0.564061D+01 -0.814242D+01 -0.115527D+01 -0.748223D+01  0.471020D+01
                16            17            18            19            20 
      1   0.923331D-02 -0.182102D+01  0.104598D+01  0.519294D+00 -0.154776D+01
      2   0.880241D+00  0.108023D+01 -0.580672D+00  0.173817D+02  0.117202D+02
      3  -0.891122D+01  0.477372D+01  0.283386D+01 -0.194623D+02 -0.150338D+02
                21            22            23            24            25 
      1   0.305579D+01 -0.232670D-01 -0.134855D+02  0.323979D+01  0.977803D+01
      2   0.762834D+01  0.412641D+01 -0.278017D+00 -0.298620D+01 -0.884969D+01
      3  -0.749489D+01 -0.186120D+00  0.117959D+02  0.110873D+01 -0.293647D+01
                26            27            28            29            30 
      1   0.162500D+02  0.163422D+02  0.208765D+01  0.325689D+01  0.317487D-01
      2  -0.990673D+01 -0.148374D+02  0.300711D+01 -0.207600D+01  0.252630D+01
      3   0.259919D+01 -0.677091D+00 -0.909121D-01 -0.533684D+01 -0.240579D-01
                31            32            33            34            35 
      1   0.311127D+01 -0.215799D+01 -0.249959D+01  0.135463D+00  0.622767D+01
      2  -0.208718D+01 -0.317413D+01  0.494873D-01 -0.606391D+01 -0.119905D-02
      3   0.531184D+01 -0.203038D-01  0.902390D-01  0.807494D-01  0.107254D+00
                36            37            38            39            40 
      1  -0.603067D-01  0.442601D+01 -0.261556D+01  0.165571D+01  0.166538D+01
      2  -0.169968D+00  0.814371D+01 -0.158155D+02  0.817215D+01 -0.939998D+01
      3  -0.971965D-01  0.952393D+01 -0.238660D+02  0.734293D+01 -0.904314D+01
                41            42            43            44            45 
      1   0.140326D+02  0.382995D+01 -0.430798D+01  0.221779D+02 -0.207792D+02
      2   0.273809D+01 -0.174091D+01 -0.298655D+01  0.440202D+01 -0.743031D+01
      3  -0.176503D+01 -0.185482D+01  0.370153D+01  0.124890D+01  0.702444D+00
                46            47            48            49            50 
      1   0.287003D+00 -0.177173D+01  0.427955D+01 -0.950761D+01 -0.189505D+02
      2   0.131909D+02  0.159465D+01 -0.225834D+01  0.209390D+01 -0.259567D+01
      3  -0.131879D+02 -0.412920D+01 -0.206449D+01  0.107491D+02  0.208634D+02
                51            52            53            54            55 
      1  -0.669729D+01  0.105323D+02  0.115465D+02  0.168316D+02  0.648798D+00
      2  -0.432805D+01 -0.136464D+02 -0.104178D+02 -0.142480D+02 -0.768024D+01
      3   0.729625D+01 -0.293374D+01  0.255850D+01  0.676538D+00  0.631916D+01
                56            57            58            59            60 
      1  -0.376427D+01 -0.472352D+00 -0.311055D+01  0.267776D+01 -0.649558D+01
      2   0.612329D+01  0.581154D+01  0.658603D+01 -0.277177D+01  0.630216D+01
      3   0.322004D+01 -0.572865D+01  0.769929D+01 -0.788689D+01  0.744102D+01
                61            62            63            64            65 
      1  -0.118997D+01 -0.103291D+01  0.705400D+00 -0.133664D+01 -0.211366D+01
      2   0.164941D+01  0.937799D-01 -0.952617D+00 -0.137616D+01  0.312670D+01
      3  -0.588859D+01  0.820645D+01 -0.283207D+01 -0.630079D+01 -0.770593D+01
                66            67            68            69            70 
      1  -0.170339D+01 -0.292159D+01 -0.237709D+01 -0.298163D+01  0.402743D+00
      2   0.932049D+01  0.311854D+01  0.117046D+02 -0.411521D+01  0.204873D+01
      3  -0.441720D-02 -0.322002D+01  0.787782D+01 -0.938974D+01  0.316353D+00
                71            72            73            74            75 
      1  -0.648206D+00 -0.232038D-01 -0.417083D+01  0.997797D+01  0.317785D+01
      2   0.682401D+00  0.119291D+01 -0.146486D+02 -0.162077D+01 -0.317019D+01
      3  -0.100941D+02  0.283953D+01 -0.255110D+01  0.994963D+01  0.273991D+01
                76            77            78            79            80 
      1   0.157824D+02 -0.410327D+01 -0.752670D+01 -0.176359D+01  0.216154D+01
      2   0.338352D+01 -0.503572D+01 -0.319580D+01 -0.230192D+02  0.156875D+01
      3   0.247448D+02 -0.500378D+01 -0.705214D+01 -0.772263D+00 -0.388215D+01
                81            82            83            84            85 
      1   0.472278D+01  0.232251D+01  0.355838D+01 -0.615740D+01 -0.370181D+01
      2   0.216108D+02  0.945348D+01 -0.869136D+01  0.210247D+01 -0.617460D+01
      3  -0.636863D+00  0.106199D+02 -0.171206D+02  0.471303D+01 -0.229049D+01
                86            87            88            89            90 
      1   0.190408D+02 -0.229812D+01 -0.821100D+01  0.192658D+02 -0.210130D+02
      2  -0.675817D+01  0.622129D+01 -0.591717D+01  0.810190D+01 -0.671872D+01
      3  -0.182389D+02  0.592761D+01  0.368638D+01  0.124291D+01 -0.695165D+00
                91            92            93            94            95 
      1  -0.748606D+01 -0.418640D+01 -0.770134D+00 -0.375287D+01  0.399723D+00
      2  -0.928613D+01 -0.103333D+01  0.352425D+01 -0.170131D+01  0.916572D+00
      3  -0.412530D+00  0.660629D+01  0.814691D+01  0.110933D+02  0.201724D+01
                96            97            98            99           100 
      1  -0.878576D+01  0.120900D+01 -0.158445D+01 -0.102415D+01 -0.912188D+00
      2  -0.507767D+01  0.110058D+01 -0.132047D+00 -0.609442D+00 -0.144896D+01
      3   0.468416D+01  0.858070D+01  0.533953D+01  0.284598D+01  0.385419D+00
               101           102           103           104           105 
      1  -0.196877D-01  0.431131D+01 -0.758207D+00  0.828659D+01 -0.303240D+01
      2   0.260521D+01  0.925846D+01  0.293125D+01  0.956455D+01  0.153948D+01
      3  -0.111148D+02 -0.357356D+01 -0.666736D+01 -0.196292D+01 -0.868054D+01
               106           107           108           109           110 
      1   0.520958D-01 -0.941222D+00  0.466239D+00  0.694938D+01  0.777601D+01
      2   0.176018D+01 -0.113450D+01  0.107882D+01 -0.179273D+02  0.254563D+01
      3  -0.414073D+01 -0.922103D+01 -0.284323D+01  0.152501D+02  0.570416D+01
               111           112           113           114           115 
      1  -0.607190D+01  0.112270D+02 -0.679595D+01 -0.375899D+01 -0.611289D+01
      2   0.673558D+00 -0.433046D+01 -0.348058D+01  0.598769D+01 -0.211815D+02
      3  -0.526388D+01  0.205904D+02 -0.756567D+01 -0.549661D+01 -0.820927D+00
               116           117           118           119           120 
      1   0.402605D+01  0.397189D+01  0.136956D+01 -0.168914D+01 -0.194176D+01
      2   0.622909D+01  0.217855D+02  0.251251D+01  0.896214D+00  0.592652D+01
      3  -0.389547D+01  0.696845D+00  0.734177D+01 -0.566630D+01 -0.299913D+01
               121           122           123           124           125 
      1  -0.287722D+00  0.107881D+01 -0.288049D+00 -0.139879D+01  0.140908D+01
      2  -0.313154D+01 -0.185898D+01  0.421265D+00  0.260762D+01 -0.279579D+00
      3  -0.214923D+01  0.178967D+01  0.250832D+01 -0.103510D+01  0.302343D+01
               126           127           128           129           130 
      1   0.852263D+00  0.761306D+00  0.105607D+01  0.803634D+00 -0.120331D+00
      2  -0.270257D+01 -0.453758D+01  0.139475D+01 -0.229838D+01  0.104217D+01
      3   0.106947D+01 -0.336557D+01  0.327623D+01 -0.195370D+01  0.285953D+01
               131           132           133           134           135 
      1  -0.310096D+01 -0.206120D+01 -0.887947D-01  0.128318D+01  0.879931D+00
      2  -0.664433D+01  0.771910D+01 -0.216212D+01  0.526583D+01 -0.632757D+01
      3  -0.148102D+02  0.695270D+01 -0.628178D+00  0.566706D+01 -0.562168D+01
               136           137           138           139           140 
      1   0.130876D+00  0.110564D+01 -0.165746D+01  0.245036D+01  0.221407D+01
      2   0.332702D+00  0.361086D+00  0.497406D+01 -0.368851D+01  0.635646D+00
      3  -0.151063D+01 -0.544967D+01 -0.851531D+00 -0.193787D+01 -0.763438D+01
               141           142           143           144           145 
      1  -0.123876D+01 -0.952377D+00  0.461926D+00 -0.967676D+00 -0.269109D+01
      2   0.317867D+01  0.165898D+01  0.263522D+01  0.266101D+01  0.313966D+01
      3  -0.381716D+01  0.101543D+01 -0.303277D+01 -0.107309D+01  0.462398D+01
               146           147           148           149           150 
      1   0.125889D+01 -0.126259D+01  0.238683D+01 -0.596651D+01  0.289452D+01
      2   0.271359D+00  0.267480D+01  0.721791D+00  0.428925D+01 -0.725166D+01
      3  -0.457638D+01  0.269501D+01 -0.496359D+01  0.135205D+02 -0.670087D+01
               151           152           153           154           155 
      1  -0.146895D+01  0.420266D+01 -0.315230D+01  0.134748D+01 -0.416142D+00
      2   0.755612D+00 -0.370357D+01  0.555247D+01  0.111450D+01 -0.622622D+00
      3   0.294423D+01 -0.489390D+01  0.561804D+01 -0.211731D+00 -0.220646D+01
               156           157           158           159           160 
      1   0.227163D+01  0.236710D+01 -0.314323D+01 -0.349136D+01  0.118310D+01
      2   0.272182D+01  0.260736D+01  0.665162D+00 -0.379140D+01  0.808305D-01
      3  -0.671771D+00  0.131646D+01  0.932444D+01 -0.385038D+01 -0.210382D+01
               161           162           163           164           165 
      1  -0.112131D+01  0.191693D+01  0.524720D+01  0.185299D+01  0.410241D+01
      2  -0.285979D+01  0.209151D+01  0.103154D+01 -0.462799D+00  0.397143D+01
      3  -0.240865D+01  0.106748D+01 -0.927729D+01 -0.632197D+01 -0.504820D+01
               166           167           168           169           170 
      1   0.272922D+01  0.558462D+01  0.420872D+01  0.354589D+01  0.427733D+01
      2  -0.130629D+01  0.251933D+01  0.441612D+01  0.815028D+00  0.163442D+01
      3  -0.671172D+01 -0.884287D+01 -0.516704D+01 -0.459105D+01 -0.339431D+01
               171           172           173           174           175 
      1   0.504764D+01 -0.851240D+00 -0.225778D+01  0.358277D+01  0.579978D+00
      2   0.393676D+01  0.324187D+01 -0.206299D+01  0.426731D+01  0.113081D+01
      3  -0.562658D+01 -0.930415D+01 -0.256513D+01  0.372897D+01  0.954017D+00
               176           177           178           179           180 
      1  -0.116118D+01 -0.194634D+01  0.265391D+01  0.425235D+00 -0.181588D+01
      2  -0.169758D+01 -0.206917D+01  0.162261D+01 -0.973399D+00 -0.216323D+01
      3   0.154016D+00  0.117047D+01  0.211457D+01  0.239769D+01 -0.107096D+01
               181           182           183           184           185 
      1  -0.205377D+01  0.142211D+01 -0.333801D+01  0.461539D+00 -0.443401D-01
      2  -0.532801D+01 -0.252384D+01 -0.410268D+01 -0.178079D+01 -0.590611D+01
      3   0.719270D+01  0.643068D+01  0.446658D+01  0.606325D+01  0.109797D+02
               186           187           188           189           190 
      1  -0.388754D+01 -0.100408D+01 -0.473952D+00 -0.324403D+01 -0.829376D+00
      2  -0.517771D+01 -0.393848D+01 -0.417391D+01 -0.551380D+01 -0.183887D+01
      3   0.568888D+01  0.277636D+01  0.499688D+01  0.562052D+01  0.656116D+01
               191           192           193           194           195 
      1   0.391020D+01 -0.261248D+01 -0.280463D+00  0.177261D+00 -0.554032D+01
      2  -0.216391D+01  0.674609D+00 -0.136434D+01 -0.609616D+00  0.109007D+01
      3   0.259923D+01  0.367303D+01  0.611722D+01  0.256863D+01  0.134418D+01
               196           197           198           199           200 
      1  -0.229894D+01 -0.208531D+01 -0.276523D+01 -0.494605D+01 -0.594538D+00
      2  -0.890580D+00  0.620117D+00  0.612129D+00  0.580115D+01 -0.199690D+01
      3   0.313848D+01 -0.614249D+00  0.106975D+01 -0.146152D+02  0.363725D+01
               201           202           203           204           205 
      1   0.788034D+01 -0.302884D+00 -0.355910D+01 -0.178766D+01  0.431027D+01
      2  -0.202879D+01 -0.806466D+00  0.182039D+01  0.642962D+00 -0.382481D+01
      3   0.700451D+01  0.323734D+01 -0.354705D+01 -0.178733D+01  0.523120D+01
               206           207           208           209           210 
      1  -0.370205D+00 -0.593032D+01  0.165639D+01  0.359407D+01  0.350863D+00
      2   0.870837D+00  0.240090D+01 -0.113303D+01  0.769085D+00  0.800038D-01
      3  -0.228528D+01 -0.562565D+01 -0.290261D+01  0.273607D+01 -0.287711D+01
               211           212           213           214           215 
      1  -0.586327D+00 -0.199031D+01 -0.613481D+01  0.817691D+00 -0.268306D+01
      2   0.162914D+01 -0.137917D+01  0.116716D+01 -0.148410D+01  0.860957D+00
      3   0.625541D+01 -0.623941D+01  0.264422D+01 -0.313270D+01  0.634866D+00
               216           217           218           219           220 
      1   0.278713D+01  0.646523D+01 -0.813974D+00 -0.817538D+01 -0.983276D+00
      2  -0.492227D+00  0.404443D+01  0.533591D+00  0.109571D+01 -0.664726D+00
      3  -0.106951D+01  0.154410D+02 -0.128979D+01 -0.715676D+01 -0.164867D+01
               221           222           223           224           225 
      1   0.428408D+01  0.130916D+01 -0.529722D+01  0.146577D+01  0.640124D+01
      2  -0.254622D+00 -0.343457D+00 -0.199945D+01  0.113979D+00 -0.560716D-01
      3   0.269988D+01  0.101689D+01 -0.572250D+01 -0.910024D-01  0.562673D+01
               226           227           228           229           230 
      1  -0.281786D+00  0.381602D+01  0.112237D+01  0.102920D+01  0.430257D+00
      2  -0.876667D+01  0.310881D+01 -0.450850D-01  0.120589D+01 -0.559635D+00
      3  -0.116115D+02  0.709288D+00 -0.181539D+01  0.207430D+01 -0.102263D+01
               231           232           233           234           235 
      1  -0.167605D+01  0.178032D+01 -0.217051D+01  0.617505D+00  0.177683D+01
      2  -0.468178D+00  0.129808D+01 -0.158610D+01 -0.406952D+00  0.205105D-01
      3  -0.213018D+00  0.195574D+01  0.367014D+00 -0.725667D+00 -0.520359D+00
               236           237           238           239           240 
      1  -0.467085D+00 -0.362807D+00  0.110161D+01  0.141181D+01  0.246033D+01
      2   0.448706D+00 -0.108572D+01  0.456892D-01 -0.168906D+01  0.143839D+01
      3  -0.321327D+00 -0.169684D+01  0.303955D+00 -0.166245D+01 -0.132966D+00
               241           242           243           244           245 
      1   0.275520D+01  0.116869D+01  0.148585D+02 -0.173196D+01  0.282034D+01
      2  -0.168143D+01 -0.147541D+01  0.425913D+01 -0.910482D+01 -0.746260D+00
      3  -0.210071D+01 -0.201862D+01 -0.161960D+01  0.110178D+02 -0.342997D+01
               246           247           248           249           250 
      1  -0.147376D+01  0.954115D+00 -0.194225D+01 -0.851653D+00 -0.159303D+01
      2   0.733965D+00  0.212189D+01  0.556573D+00  0.824230D+00  0.261942D+01
      3   0.162127D+01 -0.207824D+01  0.157411D+01 -0.885295D+00 -0.168100D+01
               251           252           253           254           255 
      1  -0.837180D+00 -0.716214D+00 -0.153544D+01 -0.769739D+00  0.576747D+00
      2   0.139601D+01 -0.149488D+00  0.187565D+00 -0.750530D+00 -0.191716D+01
      3   0.110565D+01  0.730286D+00  0.693771D+00  0.826571D-01  0.151407D+01
               256           257           258           259           260 
      1   0.824581D+00 -0.201085D+01  0.161899D+01 -0.232585D+01  0.275306D+01
      2  -0.951797D+00 -0.524786D+00 -0.166577D+01 -0.867093D-01  0.103457D+01
      3   0.703512D+00  0.148114D+01 -0.771917D+00  0.116127D+01 -0.267319D+01
               261           262           263           264           265 
      1  -0.121005D+02 -0.296845D+01 -0.309646D+01  0.698799D+00 -0.338174D+01
      2   0.960277D+01  0.384252D+01  0.190378D+01  0.188180D+01  0.530545D+01
      3   0.163149D+01 -0.489643D+01 -0.592342D+01  0.763133D+00 -0.459911D+01
               266           267           268           269           270 
      1  -0.517345D+01  0.314893D+00 -0.360900D+00 -0.420898D-01 -0.655417D+00
      2   0.681128D+00 -0.227741D-01  0.338175D+01  0.579696D+00 -0.309686D+00
      3  -0.776330D+01  0.168787D+01 -0.654094D+00 -0.190827D+01 -0.743122D+00
               271           272           273           274           275 
      1  -0.187252D+01  0.109852D+01  0.397547D+00 -0.350447D-01 -0.114157D+01
      2  -0.343639D+00  0.254943D+00 -0.290184D+01 -0.875560D+00 -0.159632D+01
      3  -0.135210D+01  0.178027D+00  0.730439D+00  0.803820D+00 -0.812580D+00
               276           277           278           279           280 
      1   0.646177D+00 -0.213070D+00  0.339237D+01 -0.374025D+01 -0.362993D+00
      2   0.679571D+00  0.534369D+00  0.149292D+01 -0.149875D+02  0.428119D+01
      3   0.153304D+01 -0.707995D+00  0.282345D+01 -0.161372D+01  0.633352D+01
               281           282           283           284           285 
      1  -0.520301D+01  0.286931D+00 -0.175965D+01 -0.520111D+01 -0.174046D+01
      2   0.290694D+01 -0.169879D+00  0.307377D+01  0.316280D+01 -0.954643D+00
      3   0.479327D+01 -0.157444D+01  0.612936D+01  0.627319D+01 -0.965023D+00
               286           287           288           289           290 
      1  -0.138938D+00 -0.346775D+01  0.221965D+00  0.129733D+01  0.103150D+01
      2  -0.795770D-02 -0.705581D-01  0.690484D+00  0.147470D+01  0.103068D+00
      3   0.179205D+01  0.913034D+00  0.737669D+00  0.950569D+00 -0.853251D+00
               291           292           293           294           295 
      1  -0.983822D+00  0.516178D-01  0.188488D+00  0.280596D+01 -0.957551D+00
      2  -0.728942D+00 -0.116836D+01  0.178070D+01 -0.116777D+00 -0.354533D+01
      3  -0.142701D+01 -0.228062D+00  0.122793D+01 -0.928536D+00 -0.289515D+01
               296           297           298           299           300 
      1  -0.708778D+00  0.143733D+02 -0.518397D+00 -0.322121D+01 -0.799053D+00
      2  -0.339494D+00  0.568042D+01  0.240941D+01 -0.129851D+01  0.555170D+00
      3   0.323561D+00  0.163556D+01 -0.247682D+01  0.322688D+01  0.108529D+01
               301           302           303           304           305 
      1  -0.112318D+00  0.850980D+01 -0.101679D+01 -0.111536D+01 -0.296847D+01
      2  -0.277658D+01  0.239113D+01  0.145931D+01  0.486023D+00  0.131607D+01
      3   0.455848D+01 -0.101518D+02 -0.150694D+01 -0.131343D+01  0.151980D+01
               306           307           308           309           310 
      1   0.491882D-01  0.262641D-01  0.110808D+01  0.158807D+01  0.698571D+00
      2   0.729660D+00  0.206564D+01 -0.625038D+00 -0.133810D+01  0.938280D+00
      3  -0.731263D+00 -0.137513D+01 -0.799305D+00  0.958378D+00 -0.170830D+00
               311           312           313           314           315 
      1  -0.190701D+00  0.222294D+01 -0.628030D+00 -0.263531D+00 -0.111103D+02
      2   0.152655D+01 -0.514616D+00 -0.315989D+01  0.190851D+01  0.107369D+02
      3  -0.791849D+00 -0.140453D+01  0.279734D+01 -0.801024D+00 -0.161172D+01
               316           317           318           319           320 
      1   0.120481D+01 -0.203683D+01  0.208290D+00 -0.358536D+01  0.799962D+01
      2   0.430182D+00 -0.128119D+01  0.181095D+01 -0.434646D+01  0.660917D+00
      3   0.151542D+01 -0.339811D+01 -0.404814D-01 -0.205489D+01  0.110196D+02
               321           322           323           324           325 
      1   0.257526D+00  0.141880D+01 -0.864171D+00  0.478648D+00  0.189787D+01
      2  -0.830510D+00  0.257565D+01 -0.159965D+01 -0.557488D+00 -0.106094D+01
      3   0.186648D+01 -0.112041D+00 -0.197580D+01  0.719123D+00  0.163811D+01
               326           327           328           329           330 
      1   0.303124D+00 -0.123329D+01 -0.308116D+00  0.198223D+00  0.871354D+00
      2  -0.100592D+01 -0.267279D+01  0.479223D+00 -0.182098D+01  0.154018D+00
      3  -0.173156D+00 -0.917404D-01  0.451187D+00  0.548061D+00  0.169477D+01
               331           332           333 
      1   0.134374D+01  0.222049D+01 -0.227254D+01
      2  -0.642262D+00 -0.262745D+01 -0.152854D+02
      3   0.172510D+01  0.234473D+01  0.162116D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.654510D+01 -0.126691D+02  0.725638D+01 -0.961504D+01  0.277746D+02
      2   0.107562D+02  0.231166D+02 -0.795366D+01  0.177935D+02 -0.407632D+02
      3  -0.421106D+01 -0.104475D+02  0.697280D+00 -0.817845D+01  0.129886D+02
      4  -0.986254D+01  0.607096D+01  0.123629D+02  0.605657D+01  0.117804D+02
      5   0.803005D+01  0.324579D+00 -0.718584D+01 -0.275091D+01 -0.291693D+01
      6   0.137808D+02 -0.808807D+01 -0.544467D+01 -0.387948D+01  0.245439D+02
                 6             7             8             9            10 
      1  -0.127011D+02  0.627244D+01 -0.853323D+01 -0.144712D+01  0.115386D+02
      2   0.237457D+02 -0.653503D+01  0.170956D+02 -0.239338D+01 -0.164020D+02
      3  -0.110446D+02  0.262591D+00 -0.856242D+01  0.384050D+01  0.486344D+01
      4   0.611113D-01  0.104136D+02 -0.195723D+01 -0.363131D+01  0.157320D+01
      5  -0.750281D+00 -0.598473D+01 -0.165706D+00  0.124128D+01 -0.746758D+00
      6  -0.577345D+01 -0.336370D+01 -0.607383D+01 -0.204464D+01 -0.208953D+02
                11            12            13            14            15 
      1   0.108642D+02 -0.575978D+00  0.902622D+01  0.841390D+00  0.827661D+01
      2  -0.246573D+02 -0.430298D+01 -0.205515D+02 -0.471303D+01 -0.182012D+02
      3   0.137932D+02  0.487895D+01  0.115253D+02  0.387164D+01  0.992459D+01
      4  -0.224535D+02 -0.179693D+02 -0.194875D+02 -0.210064D+02 -0.646665D+01
      5  -0.808293D+01 -0.480674D+01 -0.362293D+01 -0.917894D+01  0.332317D+00
      6  -0.765954D+01  0.501566D+01 -0.493966D+01 -0.164916D+02 -0.819591D+01
                16            17            18            19            20 
      1  -0.143003D+01  0.427924D+01  0.987160D+00 -0.175283D+02 -0.420397D+01
      2  -0.209726D+01 -0.120873D+02 -0.484779D+01  0.118687D+02  0.618230D+01
      3   0.352728D+01  0.780809D+01  0.386063D+01  0.565958D+01 -0.197834D+01
      4  -0.149858D+02 -0.510511D+01  0.222639D+01 -0.755390D+01  0.481129D+01
      5  -0.475480D+01 -0.387174D+00  0.193865D+01 -0.392539D+01  0.244769D+01
      6   0.281042D+01 -0.733071D+01  0.141719D+01  0.449720D+01  0.238242D+01
                21            22            23            24            25 
      1  -0.195555D+01 -0.945971D+01 -0.121494D+02 -0.103907D+02 -0.889012D+00
      2  -0.206525D-01  0.140490D+02  0.117930D+02  0.125015D+02  0.155683D+01
      3   0.197620D+01 -0.458932D+01  0.356416D+00 -0.211078D+01 -0.667817D+00
      4   0.192589D+01  0.730621D+01  0.989828D+01  0.513964D+01  0.278443D+00
      5   0.376948D+01  0.158700D+01  0.825878D+01  0.178882D+01  0.318992D+01
      6   0.209740D+01  0.423537D+01  0.878300D+01  0.614290D+01  0.872722D-01
                26            27            28            29            30 
      1  -0.515422D+01  0.363811D+01 -0.693500D+01 -0.501180D-01 -0.504803D+01
      2   0.464144D+01  0.111474D+02  0.216995D+01  0.466598D-01  0.507303D+01
      3   0.512782D+00 -0.147855D+02  0.476504D+01  0.345823D-02 -0.250014D-01
      4   0.348266D+01 -0.146876D+00 -0.288499D-01 -0.447374D+01  0.336653D+01
      5   0.482583D+00 -0.404836D+01 -0.303238D+01  0.204205D+01 -0.234451D+01
      6   0.526458D+01 -0.647033D+01  0.204291D+01  0.310995D+01 -0.800890D-02
                31            32            33            34            35 
      1  -0.123791D-01  0.219235D+01  0.336104D+01 -0.718912D+01  0.480163D+01
      2  -0.108030D-01 -0.696971D+01 -0.336225D+01  0.719042D+01 -0.479906D+01
      3   0.231821D-01  0.477736D+01  0.120620D-02 -0.130086D-02 -0.256653D-02
      4  -0.457191D+01 -0.158908D-01  0.508757D+01  0.483905D+01  0.716325D+01
      5   0.203225D+01  0.308046D+01  0.168567D-01  0.359672D+01  0.108577D-01
      6   0.307567D+01 -0.203119D+01 -0.233853D+01  0.902545D-02  0.357372D+01
                36            37            38            39            40 
      1  -0.594772D-01 -0.291290D+01  0.822733D+00  0.126549D+01  0.592129D+01
      2  -0.100062D+00 -0.427789D+01  0.102064D-01 -0.391780D+01 -0.768602D+01
      3   0.159540D+00  0.719078D+01 -0.832939D+00  0.265231D+01  0.176473D+01
      4   0.123874D-01  0.124294D+02 -0.480606D+01 -0.231788D+01 -0.768934D+01
      5  -0.981820D-02 -0.436993D+01  0.222771D+01  0.274393D+01  0.373646D+01
      6   0.258650D-01 -0.120309D+01 -0.102911D+01 -0.690485D+00  0.334078D+00
                41            42            43            44            45 
      1  -0.205750D+02  0.110343D+02  0.167471D+01  0.597065D+01  0.484901D+01
      2   0.217523D+02 -0.122262D+02 -0.887300D+00 -0.573834D+01  0.992159D+01
      3  -0.117732D+01  0.119182D+01 -0.787410D+00 -0.232313D+00 -0.147706D+02
      4   0.471552D+01 -0.387416D+01  0.266283D+00 -0.118008D+01  0.273731D+01
      5   0.327529D+01 -0.383042D+00  0.328063D+01  0.330334D+00 -0.124603D+01
      6  -0.127188D+02  0.713519D+01  0.713926D+00  0.513954D+01  0.753679D+01
                46            47            48            49            50 
      1   0.673449D+01  0.108625D+02  0.107578D+02  0.391385D+01  0.154163D+02
      2  -0.804890D+01 -0.570373D+01 -0.840358D+01 -0.135863D+01 -0.200955D+02
      3   0.131441D+01 -0.515879D+01 -0.235420D+01 -0.255522D+01  0.467921D+01
      4   0.102885D+02  0.118928D+02  0.759535D+01  0.782928D+01 -0.109976D+01
      5   0.678993D+01  0.421749D+01  0.558853D+01  0.228077D+01  0.580146D+01
      6   0.848081D+01  0.366948D+01  0.202181D+01  0.431347D+01 -0.249130D+01
                51            52            53            54            55 
      1   0.871141D+00  0.333117D+01  0.191630D+01  0.110340D+02  0.484632D+01
      2  -0.259129D+01 -0.391966D+01 -0.136522D+01  0.375351D+01 -0.545026D+01
      3   0.172014D+01  0.588493D+00 -0.551078D+00 -0.147875D+02  0.603942D+00
      4   0.313776D+01  0.452903D+01  0.116000D+01  0.845311D+00 -0.143145D+02
      5   0.235626D+01  0.515323D+01  0.366067D+00 -0.590038D+01 -0.137989D+02
      6   0.430151D+01  0.741492D+00  0.330753D+01 -0.482391D+01 -0.938536D+01
                56            57            58            59            60 
      1  -0.121519D+02 -0.159763D+02 -0.154102D+02 -0.203650D+02 -0.166998D+01
      2   0.120102D+01  0.677111D+01  0.218364D+01  0.122121D+02 -0.445482D+01
      3   0.109509D+02  0.920516D+01  0.132265D+02  0.815286D+01  0.612480D+01
      4  -0.242676D+02 -0.724876D+01 -0.279219D+02 -0.880183D+01 -0.189409D+02
      5  -0.349744D+01 -0.881611D+01 -0.562181D+01 -0.219352D+02  0.448552D+01
      6  -0.501978D+01 -0.190944D+00 -0.980224D+01 -0.533596D+01 -0.416217D+01
                61            62            63            64            65 
      1  -0.106244D+02  0.429239D+00 -0.531107D+01 -0.464447D+02  0.787661D+01
      2   0.333973D+01 -0.493626D+01  0.145988D+01  0.313403D+02 -0.225590D+01
      3   0.728465D+01  0.450702D+01  0.385119D+01  0.151044D+02 -0.562071D+01
      4  -0.507719D+01 -0.153510D+02  0.139268D+01 -0.292513D+00  0.103342D+02
      5  -0.759299D+01  0.242802D+01  0.116139D+01  0.260211D+02 -0.172103D+01
      6  -0.760347D+00 -0.448427D+01  0.210014D+01  0.101099D+01 -0.440233D+01
                66            67            68            69            70 
      1   0.243483D+02  0.130866D+02  0.168426D+02 -0.780089D+01  0.182083D+02
      2  -0.133077D+02 -0.519125D+01 -0.104964D+02  0.854456D+01 -0.967774D+01
      3  -0.110406D+02 -0.789536D+01 -0.634619D+01 -0.743668D+00 -0.853059D+01
      4   0.344404D+01  0.114569D+02 -0.451223D+01  0.104997D+02  0.330394D+00
      5  -0.503327D+01 -0.631747D+01  0.113126D+02 -0.513264D+01 -0.563155D+01
      6  -0.465739D+00 -0.189914D+01  0.908581D+01 -0.796119D+01 -0.120299D+00
                71            72            73            74            75 
      1  -0.669112D+01 -0.145568D+01  0.199304D+02 -0.183403D+01 -0.103280D+02
      2   0.755132D+01 -0.239661D+01 -0.187677D+02  0.117406D+01  0.947266D+01
      3  -0.860203D+00  0.385229D+01 -0.116265D+01  0.659965D+00  0.855306D+00
      4   0.850642D+01 -0.363210D+01  0.119478D+02 -0.917669D+01 -0.631185D+01
      5  -0.331439D+01 -0.219349D+01 -0.126605D+02 -0.173097D+01  0.723982D+01
      6  -0.644253D+01  0.964777D+00  0.737867D+00  0.441576D+01  0.227163D+00
                76            77            78            79            80 
      1   0.486511D+01 -0.759291D+01 -0.461653D+01 -0.509562D+01 -0.158174D+01
      2  -0.291841D+01  0.411959D+00  0.183731D+01  0.521392D+01  0.240299D+01
      3  -0.194670D+01  0.718095D+01  0.277922D+01 -0.118303D+00 -0.821250D+00
      4  -0.477857D+01  0.100007D+02 -0.378159D+01 -0.262301D+01 -0.429834D+00
      5  -0.289766D+01 -0.102407D+01 -0.118995D+00  0.500439D+01  0.950673D+00
      6   0.275011D+01 -0.362211D+01  0.267489D+01  0.567544D+00  0.347744D+01
                81            82            83            84            85 
      1   0.914763D+01  0.130742D+00  0.446633D+01  0.308997D+01  0.688378D+01
      2   0.564207D+01 -0.464889D+01 -0.972018D+01 -0.295877D+00 -0.952342D+01
      3  -0.147897D+02  0.451815D+01  0.525384D+01 -0.279410D+01  0.263963D+01
      4   0.331843D+01 -0.470314D+01  0.113949D+02 -0.990958D+01  0.451741D+01
      5   0.761582D+01  0.246187D+01 -0.920602D+00  0.387197D+01  0.110474D+01
      6  -0.259014D+00 -0.542850D+01  0.726933D+01 -0.185615D+01  0.710076D+01
                86            87            88            89            90 
      1   0.817162D+01  0.717842D+00 -0.109462D+01 -0.196165D+00  0.939534D+01
      2  -0.966279D+01 -0.889422D-01  0.295022D+00 -0.144720D+00  0.539189D+01
      3   0.149117D+01 -0.628900D+00  0.799600D+00  0.340885D+00 -0.147872D+02
      4  -0.195400D+02  0.779742D+01 -0.458100D+01  0.403236D+01 -0.318502D+01
      5   0.687426D+01 -0.215645D+01  0.450069D+01 -0.839855D+00 -0.357430D+01
      6  -0.499138D+01  0.604487D+01 -0.125162D+01  0.396021D+01  0.675312D+01
                91            92            93            94            95 
      1   0.529054D+01 -0.129501D+02 -0.112630D+02 -0.128903D+02 -0.120403D+01
      2   0.153720D+01  0.177427D+02  0.511035D+01  0.199544D+02 -0.143757D+02
      3  -0.682773D+01 -0.479259D+01  0.615262D+01 -0.706411D+01  0.155797D+02
      4  -0.874467D+01 -0.110113D+02  0.744193D+01 -0.150467D+02  0.330104D+02
      5  -0.950754D+01 -0.225685D+01 -0.967165D+01 -0.213665D+01 -0.179151D+02
      6   0.781126D+01 -0.372052D+01  0.248389D+01 -0.893242D+01  0.194877D+02
                96            97            98            99           100 
      1  -0.755968D+01 -0.862691D+01 -0.777554D+01 -0.532073D+01 -0.279777D+02
      2   0.167526D+02  0.362551D+01  0.147399D+02  0.146781D+01  0.112389D+02
      3  -0.919296D+01  0.500140D+01 -0.696431D+01  0.385292D+01  0.167388D+02
      4  -0.165326D+02  0.445680D+01 -0.115549D+02  0.140742D+01  0.316295D+02
      5  -0.222225D+01 -0.772488D+01 -0.110005D+01  0.259442D+00  0.229710D+02
      6  -0.333593D+01  0.210789D+01 -0.433707D+01 -0.239175D+01 -0.142580D+02
               101           102           103           104           105 
      1   0.190670D+02  0.200523D+02  0.158385D+02  0.912732D+01  0.557915D+01
      2  -0.151629D+02 -0.101498D+02 -0.142010D+02 -0.115261D+01 -0.104906D+02
      3  -0.390411D+01 -0.990254D+01 -0.163752D+01 -0.797471D+01  0.491145D+01
      4  -0.481976D+01 -0.138833D+02 -0.119376D+01 -0.104400D+02  0.754260D+01
      5  -0.669820D+01 -0.345028D+01 -0.150643D+01  0.764223D+01  0.328932D+01
      6  -0.408203D+01 -0.140682D+01 -0.352904D+01 -0.931268D+01 -0.951669D+01
               106           107           108           109           110 
      1   0.169006D+02  0.451156D+01  0.993190D+00 -0.128124D+01 -0.100959D+02
      2  -0.935497D+01 -0.856139D+01 -0.483896D+01  0.766579D+00  0.802072D+01
      3  -0.754559D+01  0.404983D+01  0.384577D+01  0.514664D+00  0.207515D+01
      4  -0.890607D+01  0.475237D+01  0.223040D+01 -0.223149D+02 -0.114814D+00
      5  -0.452026D+01  0.252437D+01 -0.241323D+01 -0.765644D+01  0.665370D+01
      6  -0.675341D+00 -0.754679D+01 -0.375933D-01  0.580999D+01  0.259036D+01
               111           112           113           114           115 
      1  -0.234693D+01 -0.121208D+02 -0.636937D+01  0.208119D+01 -0.131726D+01
      2   0.264598D+01  0.743657D+01  0.862002D+00  0.820851D+00  0.113231D+01
      3  -0.299053D+00  0.468427D+01  0.550737D+01 -0.290204D+01  0.184952D+00
      4   0.869818D+01  0.686219D+01 -0.399437D+01 -0.895045D+01  0.437122D+01
      5   0.650890D+01  0.708850D+01 -0.384224D+01 -0.148361D+01  0.423116D+01
      6  -0.179774D+01  0.592788D+00  0.208083D+01  0.337815D+01 -0.885208D+00
               116           117           118           119           120 
      1   0.131376D+01  0.627820D+01  0.802759D+02 -0.118193D+01 -0.205035D+02
      2  -0.211174D+01  0.850009D+01 -0.461954D+02  0.174751D+01  0.140338D+02
      3   0.797982D+00 -0.147783D+02 -0.340804D+02 -0.565579D+00  0.646966D+01
      4  -0.362938D+01 -0.357547D+01  0.998019D+01  0.842018D+01 -0.231244D+01
      5  -0.126521D+01  0.715743D+01 -0.319051D+02  0.447928D+00  0.187764D+02
      6   0.422511D+01 -0.271338D+01 -0.345879D+01 -0.179256D+01  0.296011D+01
               121           122           123           124           125 
      1  -0.135739D+02  0.695770D+01  0.476894D+01 -0.169084D+02  0.112871D+01
      2   0.933585D+01 -0.371180D+01 -0.451484D+01  0.135858D+02 -0.183227D+01
      3   0.423805D+01 -0.324591D+01 -0.254104D+00  0.332256D+01  0.703561D+00
      4   0.922808D+01 -0.995784D+00 -0.439965D+01 -0.256559D+01 -0.353069D+01
      5   0.585970D+01 -0.556329D+01 -0.275708D+01  0.217644D+02  0.143877D+00
      6  -0.244767D+01 -0.874440D+00  0.268876D+01  0.303790D+01  0.273036D+01
               126           127           128           129           130 
      1   0.126806D+02  0.996539D+00  0.517214D+01 -0.721977D+01  0.515536D+01
      2  -0.105935D+02  0.208667D+00 -0.363523D+01  0.358325D+01 -0.179311D+01
      3  -0.208710D+01 -0.120521D+01 -0.153691D+01  0.363651D+01 -0.336225D+01
      4   0.202645D+01  0.175641D+01 -0.657468D-01 -0.120829D+01  0.763443D+01
      5  -0.132539D+02 -0.464778D+01 -0.699701D+00  0.400640D+00 -0.384924D+01
      6  -0.165476D+01 -0.320656D+01  0.276354D+01 -0.207943D+01 -0.217932D+01
               131           132           133           134           135 
      1  -0.130664D+02  0.723563D+01 -0.652662D+01  0.522026D+01 -0.639735D+01
      2   0.180294D+02 -0.591405D+01  0.372677D+01 -0.318915D+01  0.161256D+01
      3  -0.496298D+01 -0.132158D+01  0.279985D+01 -0.203111D+01  0.478479D+01
      4   0.222434D+02 -0.102859D+02 -0.458502D+01 -0.862384D+01  0.780925D+01
      5  -0.102893D+02  0.121976D+02  0.518267D+01  0.822354D+01 -0.106834D+02
      6  -0.164678D+02  0.127133D+02  0.150415D+01  0.109028D+02 -0.108321D+02
               136           137           138           139           140 
      1   0.335131D+02  0.161464D+02  0.964139D+01  0.203499D+02  0.114897D+02
      2  -0.126559D+02 -0.318133D+01 -0.466926D+01 -0.257584D+01  0.497860D+01
      3  -0.208571D+02 -0.129651D+02 -0.497213D+01 -0.177741D+02 -0.164683D+02
      4   0.305726D+02  0.229199D+02  0.932628D+01  0.327861D+02  0.333583D+02
      5   0.178847D+02  0.920963D+01  0.128934D+02  0.131039D+02  0.144449D+02
      6   0.800904D+01  0.577853D+01  0.488218D+01  0.959376D+01  0.113671D+02
               141           142           143           144           145 
      1   0.372036D+01  0.844999D+01  0.222942D+01  0.599473D+01  0.146804D+02
      2   0.421310D+00 -0.538959D+01 -0.766808D+00 -0.390895D+01 -0.969231D+01
      3  -0.414167D+01 -0.306041D+01 -0.146262D+01 -0.208578D+01 -0.498807D+01
      4   0.142526D+02  0.972313D+01  0.104227D+02  0.107165D+02 -0.499147D+01
      5   0.106014D+02  0.162272D+02  0.102281D+02  0.115090D+02  0.118900D+02
      6   0.855719D+01  0.733259D+01  0.825538D+01  0.675715D+01 -0.766941D+00
               146           147           148           149           150 
      1  -0.593255D+01  0.810010D+01 -0.140669D+02  0.776391D+01 -0.335020D+01
      2   0.440376D+01 -0.601424D+01  0.107029D+02 -0.655097D+01  0.661026D+01
      3   0.152880D+01 -0.208585D+01  0.336402D+01 -0.121294D+01 -0.326005D+01
      4   0.783738D+01 -0.159026D+01  0.107185D+02 -0.158144D+02  0.101288D+02
      5  -0.372496D+01  0.987761D+01 -0.924045D+01  0.119602D+02 -0.143842D+02
      6   0.201741D+01 -0.113339D+00  0.400941D+01 -0.572280D+01  0.325475D+01
               151           152           153           154           155 
      1   0.948867D+01 -0.584211D+00  0.413198D+01  0.571530D+01 -0.488627D+01
      2  -0.849802D+01  0.389817D+01 -0.890122D+01  0.365912D+01 -0.515477D+01
      3  -0.990651D+00 -0.331396D+01  0.476924D+01 -0.937443D+01  0.100410D+02
      4  -0.832261D+00  0.728854D+01 -0.587695D+01 -0.170294D+02  0.193964D+02
      5   0.120153D+02 -0.737137D+01  0.150691D+02  0.762023D+01 -0.573955D+01
      6  -0.654580D+00  0.408466D+01 -0.208157D+01 -0.648116D+01  0.492489D+01
               156           157           158           159           160 
      1   0.349751D+01 -0.159418D+01 -0.135276D+02  0.593972D+01  0.172674D+01
      2  -0.484755D+00 -0.132501D+02  0.414886D+02 -0.116706D+02  0.544972D+00
      3  -0.301275D+01  0.148443D+02 -0.279610D+02  0.573092D+01 -0.227171D+01
      4  -0.648400D+01  0.276435D+02 -0.468852D+02  0.148703D+02 -0.766739D+01
      5   0.680414D+01 -0.787826D+01  0.148799D+02 -0.987681D+01  0.887155D+01
      6  -0.416491D+01  0.993568D+01 -0.238041D+02  0.146660D+02 -0.759188D+01
               161           162           163           164           165 
      1   0.530738D+01 -0.301458D+01  0.247791D+02  0.664569D+01  0.100644D+02
      2  -0.783477D+01  0.510238D+01 -0.186452D+02 -0.716427D+01 -0.938780D+01
      3   0.252739D+01 -0.208781D+01 -0.613391D+01  0.518573D+00 -0.676602D+00
      4   0.123099D+02 -0.110935D+02 -0.315470D+01  0.574545D+01 -0.216789D+01
      5  -0.104867D+02  0.806506D+01  0.165915D+02  0.281906D+01  0.140214D+02
      6   0.156252D+02 -0.106484D+02 -0.294842D+01  0.195850D+01 -0.433752D+01
               166           167           168           169           170 
      1   0.146906D+02  0.664543D+01  0.562068D+01  0.881460D+01  0.184174D+01
      2  -0.133865D+02 -0.661771D+01 -0.944365D+01 -0.917265D+01 -0.529250D+01
      3  -0.130405D+01 -0.277187D-01  0.382297D+01  0.358043D+00  0.345076D+01
      4   0.270541D+01  0.422608D+01  0.486135D+01 -0.395950D+01  0.551475D+01
      5   0.867396D+01  0.792414D+01  0.993933D+01  0.136900D+02  0.340369D+01
      6   0.169849D+01 -0.170619D+00 -0.893595D+00 -0.331921D+01  0.240954D+01
               171           172           173           174           175 
      1   0.636815D+01  0.559772D+02 -0.138979D+02 -0.152614D+02 -0.384209D+01
      2  -0.111609D+02 -0.250848D+02  0.191302D+01  0.919054D+01 -0.333471D+01
      3   0.479271D+01 -0.308924D+02  0.119849D+02  0.607084D+01  0.717681D+01
      4  -0.440368D+00 -0.434218D+02  0.216041D+02  0.128302D+02  0.151141D+02
      5   0.147424D+02 -0.273600D+02  0.822093D+01  0.163405D+02  0.296609D+01
      6  -0.384416D+01  0.130227D+02 -0.565326D+01 -0.860306D+01 -0.418738D+01
               176           177           178           179           180 
      1   0.492332D+01 -0.748950D+00 -0.110502D+02  0.111631D+01  0.785349D+01
      2   0.152456D+01  0.297875D+01  0.825408D+01  0.799428D+00 -0.576183D+01
      3  -0.644788D+01 -0.222980D+01  0.279608D+01 -0.191574D+01 -0.209165D+01
      4  -0.113446D+02 -0.512011D+01  0.110549D+02 -0.613852D+01 -0.964064D+01
      5  -0.557318D+01 -0.288491D+01  0.178524D+02 -0.639026D+01 -0.115948D+02
      6   0.527321D+01  0.510236D+01 -0.928351D+01  0.662443D+01  0.657738D+01
               181           182           183           184           185 
      1  -0.477119D+01 -0.119785D+02 -0.923776D+01 -0.679818D+01 -0.197956D+02
      2   0.480752D+01  0.124839D+02  0.536682D+01  0.545889D+01  0.259583D+02
      3  -0.363271D-01 -0.505402D+00  0.387094D+01  0.133929D+01 -0.616277D+01
      4   0.183350D+01  0.336230D+00  0.331260D+01  0.517830D+01 -0.820713D+01
      5  -0.153891D+01  0.100772D+01 -0.136693D+01  0.205412D+01 -0.477179D+01
      6   0.642335D+01  0.754122D+01  0.788870D+01  0.176623D+01  0.174822D+02
               186           187           188           189           190 
      1  -0.978363D+01 -0.551504D+01 -0.863156D+01 -0.107318D+02 -0.132405D+01
      2   0.996541D+01  0.214326D+01  0.783303D+01  0.595948D+01  0.138674D+02
      3  -0.181775D+00  0.337178D+01  0.798536D+00  0.477230D+01 -0.125433D+02
      4  -0.423756D+01  0.517315D+01 -0.554531D+01 -0.270992D+01  0.249507D+02
      5  -0.638522D+01  0.259689D+01 -0.479036D+01 -0.574306D+01  0.771683D+01
      6   0.145052D+02  0.192737D+01  0.135090D+02  0.141015D+02  0.127343D+02
               191           192           193           194           195 
      1  -0.825518D+01 -0.230176D+01 -0.636353D+01 -0.220710D+02 -0.721995D+01
      2   0.249214D+02  0.575520D+01  0.182301D+02  0.468429D+02  0.126930D+02
      3  -0.166662D+02 -0.345344D+01 -0.118666D+02 -0.247719D+02 -0.547309D+01
      4   0.288681D+02  0.122903D+02  0.198137D+02  0.299434D+02  0.884307D+01
      5   0.808008D+01  0.662660D+01  0.480659D+01  0.727067D+01  0.405841D+01
      6   0.134571D+02  0.977977D+01  0.909736D+01  0.218894D+02  0.148446D+02
               196           197           198           199           200 
      1  -0.239142D+01 -0.806951D+01 -0.652841D+01 -0.355898D+01  0.806838D+01
      2   0.344269D+01  0.112968D+02  0.861283D+01  0.545779D+01 -0.118294D+02
      3  -0.105127D+01 -0.322724D+01 -0.208442D+01 -0.189880D+01  0.376100D+01
      4   0.860311D+01  0.880405D+01  0.906597D+01 -0.198869D+02  0.119803D+02
      5   0.611433D+01  0.599978D+01  0.519508D+01 -0.816095D+01  0.441126D+01
      6   0.889503D+01  0.183816D+02  0.123061D+02  0.126908D+02 -0.849392D+01
               201           202           203           204           205 
      1   0.447556D+01  0.276603D+01 -0.659913D+01 -0.481504D+01  0.295824D+01
      2  -0.150560D+01 -0.470012D+01  0.108663D+02  0.730726D+01  0.204230D+00
      3  -0.296996D+01  0.193410D+01 -0.426715D+01 -0.249222D+01 -0.316247D+01
      4   0.114241D+02  0.733031D+01 -0.521418D+01 -0.188685D+01  0.796650D+01
      5   0.525715D+01  0.170875D+01 -0.140649D+01 -0.721732D+00  0.526471D+01
      6  -0.149989D+02 -0.329072D+01  0.101004D+02  0.786651D+01 -0.826825D+01
               206           207           208           209           210 
      1  -0.764689D+01 -0.715760D+01 -0.480221D+01  0.120813D+02 -0.502375D+01
      2   0.905673D+01  0.237020D+01  0.905971D+01 -0.202690D+02  0.612474D+01
      3  -0.140984D+01  0.478740D+01 -0.425751D+01  0.818767D+01 -0.110100D+01
      4  -0.211312D+01 -0.737095D+01 -0.507548D+01  0.121180D+02 -0.569774D+01
      5  -0.154736D+01 -0.404107D+01  0.529420D+00 -0.321985D+01  0.293558D+01
      6   0.108314D+02  0.146816D+02 -0.681876D+01  0.882530D+01 -0.484791D+01
               211           212           213           214           215 
      1   0.503980D+01 -0.451000D+02  0.134888D+02 -0.265573D+01  0.134875D+02
      2  -0.841985D+01  0.781953D+02 -0.198682D+02  0.239363D+01 -0.168753D+02
      3   0.338004D+01 -0.330953D+02  0.637935D+01  0.262095D+00  0.338770D+01
      4   0.874018D+01 -0.406441D+01  0.151712D+01 -0.395327D+01  0.974965D+00
      5  -0.186293D+01  0.809837D-01  0.868064D+00  0.264233D+01  0.509492D+00
      6   0.354607D+01 -0.308644D+02  0.185098D+02 -0.238333D+01  0.218346D+02
               216           217           218           219           220 
      1  -0.107099D+02  0.124349D+02 -0.201296D+01 -0.346897D+01 -0.179770D+01
      2   0.128004D+02 -0.816356D+01  0.579727D+01  0.524013D+01  0.373811D+01
      3  -0.209051D+01 -0.427138D+01 -0.378430D+01 -0.177116D+01 -0.194040D+01
      4  -0.106701D+01  0.244356D+02  0.950085D+01 -0.115687D+02  0.181349D+01
      5   0.962921D-01 -0.149206D+02 -0.328868D+01  0.111892D+02  0.118808D+01
      6  -0.133362D+02 -0.116546D+02 -0.500357D+01  0.136350D+02 -0.120672D+01
               221           222           223           224           225 
      1  -0.101752D+01  0.328457D+01 -0.141639D+01  0.462261D+01 -0.556742D+00
      2   0.294267D+01 -0.672731D+01  0.379319D+01 -0.714013D+01 -0.421465D+01
      3  -0.192515D+01  0.344274D+01 -0.237680D+01  0.251751D+01  0.477139D+01
      4   0.272580D+01 -0.129628D+01 -0.893721D+01 -0.431777D+01  0.858242D+01
      5  -0.262272D+01 -0.641979D+00  0.954498D+01  0.207982D+01 -0.934328D+01
      6  -0.576160D+01  0.193980D+01  0.879952D+01  0.656384D+01 -0.120259D+02
               226           227           228           229           230 
      1   0.120644D+02  0.222711D+01 -0.159175D+01 -0.210934D+01  0.170393D+01
      2  -0.402312D+01 -0.814370D+01  0.442559D+00 -0.151743D+01  0.311494D+01
      3  -0.804132D+01  0.591659D+01  0.114919D+01  0.362677D+01 -0.481887D+01
      4  -0.230375D+02  0.107668D+02 -0.435381D+01  0.893307D+01 -0.685536D+01
      5   0.105895D+02 -0.471051D+01  0.466601D+01 -0.240248D+01  0.132412D+01
      6  -0.374565D+01  0.684113D+01 -0.576818D+01  0.148056D+01 -0.186418D+00
               231           232           233           234           235 
      1  -0.106630D+01 -0.105098D+01 -0.346215D+01  0.120364D+01 -0.462357D+00
      2   0.111355D+01 -0.156124D+01  0.613245D+01 -0.325854D+01 -0.216515D+01
      3  -0.472462D-01  0.261222D+01 -0.267030D+01  0.205490D+01  0.262750D+01
      4   0.142093D+01  0.224129D+01 -0.543146D+00 -0.292588D+01 -0.130023D+01
      5  -0.132330D+01  0.223088D+01 -0.580772D+00  0.171363D+01  0.154738D+01
      6   0.145262D+01 -0.240289D+01 -0.569310D+00 -0.496002D+00 -0.231335D+01
               236           237           238           239           240 
      1  -0.296116D+01  0.187330D+01 -0.168660D+01  0.916817D+00 -0.143474D+01
      2   0.283259D+01 -0.634993D+00  0.986606D+00 -0.339580D+01 -0.310797D+01
      3   0.128571D+00 -0.123831D+01  0.699990D+00  0.247898D+01  0.454272D+01
      4   0.252473D+01 -0.298433D+01  0.394814D+00 -0.268573D+00  0.426890D-01
      5  -0.956430D+00  0.496241D+01 -0.703529D-01 -0.116051D+01  0.107272D+01
      6  -0.116818D+01  0.106394D+01 -0.766716D+00  0.347599D+00  0.132446D+01
               241           242           243           244           245 
      1  -0.100306D+01  0.668135D+01 -0.166449D+02  0.285745D+02 -0.213155D+01
      2  -0.312822D+01 -0.413129D+01 -0.182609D+02 -0.176194D+02  0.550997D+01
      3   0.413128D+01 -0.255006D+01  0.349058D+02 -0.109551D+02 -0.337842D+01
      4  -0.402848D+01  0.270860D+00 -0.321181D+01  0.159792D+02  0.687161D+01
      5   0.452985D+01 -0.104049D+01  0.555740D+01  0.131887D+02  0.202788D+01
      6  -0.349781D+01  0.802149D+01 -0.226559D+02  0.118950D+01  0.387109D+01
               246           247           248           249           250 
      1   0.230193D+01 -0.682270D+00  0.418620D+01  0.938719D+00 -0.187876D+01
      2  -0.338715D+01  0.177263D+01 -0.227065D+01 -0.538597D+00 -0.156281D+01
      3   0.108522D+01 -0.109036D+01 -0.191554D+01 -0.400122D+00  0.344156D+01
      4   0.358816D+01  0.169172D+01 -0.199927D-01 -0.124210D+01 -0.309081D+01
      5   0.668739D+01 -0.214324D+01 -0.709053D+00 -0.853726D+00  0.286457D+01
      6   0.359044D+01 -0.195693D+00 -0.211654D+01 -0.593643D+00  0.973951D+00
               251           252           253           254           255 
      1   0.259683D+01  0.262266D+01  0.218403D+01  0.319060D+01  0.399091D+01
      2  -0.406718D+01 -0.466914D+01 -0.449620D+01 -0.313255D+01 -0.112105D+01
      3   0.147034D+01  0.204648D+01  0.231217D+01 -0.580500D-01 -0.286985D+01
      4  -0.282265D+01  0.485633D+00 -0.247662D+00 -0.707452D+00  0.136789D+01
      5  -0.854382D+00  0.176095D+01  0.187883D+01 -0.836416D+00  0.367821D+01
      6  -0.121481D+01 -0.213598D+00  0.567363D+00 -0.162480D+01 -0.202531D+01
               256           257           258           259           260 
      1   0.870134D+00 -0.149846D+01  0.197117D+00 -0.461974D+00 -0.511548D+01
      2  -0.236118D+00 -0.129388D+01  0.352034D+01 -0.434089D+01  0.434610D+01
      3  -0.634016D+00  0.279234D+01 -0.371746D+01  0.480287D+01  0.769376D+00
      4  -0.111791D+01 -0.761736D+00  0.103301D+00  0.347274D+01  0.289978D+01
      5  -0.150609D+01 -0.765872D+00 -0.205163D+01  0.664797D+01  0.160652D+01
      6  -0.922297D+00  0.110695D+01  0.261213D+01  0.406937D+01  0.590144D+01
               261           262           263           264           265 
      1  -0.146033D+02  0.219939D+02  0.820867D+01 -0.242210D+01  0.136734D+02
      2  -0.202992D+02 -0.122540D+02 -0.557277D+01  0.304502D+01 -0.874305D+01
      3   0.349025D+02 -0.973994D+01 -0.263590D+01 -0.622921D+00 -0.493040D+01
      4   0.170407D+01  0.917354D+01  0.100987D+02 -0.208774D+01  0.627076D+01
      5   0.138103D+02 -0.740906D+01 -0.314285D+01  0.532051D+01 -0.892831D+01
      6   0.187889D+02 -0.348326D+01 -0.354234D+01  0.938038D+00 -0.286784D+01
               266           267           268           269           270 
      1   0.663121D+01 -0.287773D+01  0.532507D+01  0.810128D+00  0.379786D+00
      2  -0.353048D+01  0.385264D+01 -0.170766D+01  0.118808D+00 -0.243648D+01
      3  -0.310073D+01 -0.974910D+00 -0.361740D+01 -0.928936D+00  0.205670D+01
      4   0.121583D+02 -0.301124D+00 -0.292414D+01  0.272889D+01  0.339768D+01
      5  -0.196222D+01  0.539451D+01  0.141381D+01  0.287215D+01 -0.128153D+01
      6  -0.486896D+01  0.789774D+00  0.104730D+01  0.250063D+00 -0.123803D+01
               271           272           273           274           275 
      1  -0.136135D+01  0.453569D+00 -0.365076D+01  0.122724D+01 -0.133944D+01
      2  -0.795388D+00 -0.242098D-01 -0.906448D+00 -0.136912D+01 -0.160754D+01
      3   0.215674D+01 -0.429359D+00  0.455720D+01  0.141879D+00  0.294698D+01
      4   0.406860D+01 -0.192791D+00 -0.680062D+00  0.222676D+01 -0.681834D+00
      5   0.475381D+00 -0.124477D+01  0.130527D+01 -0.133655D+01 -0.236411D+01
      6  -0.224973D+00 -0.420139D+00  0.103519D+01 -0.138774D+01  0.879650D+00
               276           277           278           279           280 
      1  -0.872247D+00 -0.188519D+01  0.513627D-01 -0.150843D+02 -0.428330D+01
      2   0.206148D+01  0.614957D+01  0.224198D+01 -0.198235D+02  0.653037D+01
      3  -0.118924D+01 -0.426438D+01 -0.229335D+01  0.349077D+02 -0.224707D+01
      4  -0.258241D+01  0.247022D+01 -0.480726D+01  0.230177D+01  0.886071D+01
      5   0.103589D+01  0.910370D+01  0.846240D+00 -0.223821D+02 -0.391124D+01
      6   0.498312D+01 -0.160475D+01  0.344202D+01  0.652152D+01 -0.987064D+00
               281           282           283           284           285 
      1  -0.869141D+01  0.330650D+01 -0.666683D+01 -0.162652D+02  0.393588D+01
      2   0.126415D+02 -0.242499D+01  0.832040D+01  0.269183D+02 -0.319331D+01
      3  -0.395004D+01 -0.881517D+00 -0.165357D+01 -0.106530D+02 -0.742568D+00
      4   0.373101D+01  0.758847D+00  0.855211D+01  0.595983D+01 -0.120404D+01
      5  -0.185927D+01  0.399879D-01 -0.328727D+01 -0.313797D+01  0.241517D+00
      6  -0.830367D+01  0.468777D+01 -0.266221D+01 -0.933027D+01  0.604221D+01
               286           287           288           289           290 
      1  -0.493496D+00 -0.934649D+00 -0.326284D+01 -0.119431D+01 -0.183222D+01
      2   0.935626D+00  0.465826D+01  0.122244D+01 -0.177880D+01  0.157749D+01
      3  -0.442129D+00 -0.372362D+01  0.204040D+01  0.297312D+01  0.254727D+00
      4   0.301181D+01 -0.336657D+01  0.291614D+01 -0.807119D+00  0.117107D+01
      5  -0.249156D+00  0.823987D+00 -0.106317D+01  0.133613D+01 -0.988765D+00
      6   0.265226D+01  0.189235D+01 -0.141580D+01 -0.182755D+01 -0.182218D+01
               291           292           293           294           295 
      1   0.277980D+01  0.120181D+00 -0.210700D+01 -0.399056D+00  0.273641D+01
      2  -0.974628D+00  0.204584D+00 -0.277154D-01 -0.392321D+01 -0.988070D+00
      3  -0.180517D+01 -0.324765D+00  0.213471D+01  0.432226D+01 -0.174834D+01
      4  -0.206156D+01 -0.878652D+00  0.412011D+01 -0.575705D+00 -0.478021D+01
      5   0.463571D+01 -0.444901D-01 -0.448118D+00  0.146705D+01  0.362585D+01
      6   0.150939D+01 -0.158650D+01  0.146968D-01  0.165681D+01  0.143318D+00
               296           297           298           299           300 
      1   0.580230D+01 -0.203584D+02 -0.310693D+01  0.365138D+01  0.358111D+00
      2  -0.124703D+01 -0.145272D+02  0.460741D+01 -0.381024D+01  0.174397D+00
      3  -0.455527D+01  0.348856D+02 -0.150049D+01  0.158866D+00 -0.532508D+00
      4   0.282284D+01  0.161812D+01 -0.195061D+01  0.466504D+00 -0.173388D+01
      5  -0.232925D+01  0.935659D+01 -0.247842D+01 -0.156531D+00 -0.820045D+00
      6   0.893522D+01 -0.213784D+02 -0.783014D+00 -0.401105D+01 -0.184920D+01
               301           302           303           304           305 
      1   0.595906D+01 -0.200312D+02 -0.423530D+01 -0.307996D+01 -0.120692D+01
      2  -0.382309D+01  0.313850D+02  0.321371D+01  0.207637D+01 -0.238688D+01
      3  -0.213597D+01 -0.113537D+02  0.102159D+01  0.100359D+01  0.359380D+01
      4   0.612493D+01  0.105162D+02  0.253337D+01 -0.317584D+01 -0.337281D+01
      5   0.332671D+01 -0.822287D-01  0.260556D+01 -0.115967D+01  0.444487D+00
      6   0.670138D+00  0.130781D+02  0.693469D+01 -0.138037D+01  0.281847D+01
               306           307           308           309           310 
      1  -0.467578D+01 -0.795187D+00  0.527594D+00  0.359572D+01 -0.238490D+01
      2   0.261991D+01 -0.207639D+01  0.270761D-01 -0.277054D+00  0.237025D+01
      3   0.205587D+01  0.287157D+01 -0.554670D+00 -0.331867D+01  0.146512D-01
      4  -0.469175D+00 -0.371675D+00 -0.112238D+01  0.439609D+00 -0.141442D+01
      5  -0.431465D+00  0.146645D+01 -0.563176D+00  0.315993D+01 -0.135710D+01
      6   0.173449D+01 -0.232077D+00 -0.189711D+01 -0.211383D+01 -0.133077D+01
               311           312           313           314           315 
      1  -0.461596D+01 -0.905427D+00  0.407243D+01 -0.465404D+01 -0.206321D+02
      2   0.238494D+01  0.426899D+01 -0.421545D+01 -0.179306D+00 -0.142812D+02
      3   0.223102D+01 -0.336356D+01  0.143027D+00  0.483335D+01  0.349133D+02
      4  -0.146189D+01  0.725673D+00  0.362035D+01  0.335089D+01  0.894360D+00
      5   0.433702D-01 -0.211737D+01  0.518514D+01  0.386139D+01  0.168353D+02
      6   0.153082D+01  0.311792D+01  0.141505D+01  0.735146D+01  0.161065D+02
               316           317           318           319           320 
      1   0.672428D+01 -0.322961D+01  0.503492D+00 -0.101506D+02  0.401399D+00
      2  -0.608649D+00 -0.656108D+00 -0.311821D+00  0.398103D+01  0.635325D+01
      3  -0.611563D+01  0.388572D+01 -0.191672D+00  0.616959D+01 -0.675465D+01
      4  -0.905489D+01  0.107223D+02  0.215188D+01  0.110844D+02 -0.217221D+02
      5  -0.163060D+01  0.223374D+01  0.241431D+01  0.785345D+01 -0.382689D+01
      6   0.219959D+01 -0.322666D+01 -0.161729D+01 -0.480032D+01  0.908649D+01
               321           322           323           324           325 
      1   0.161600D+01  0.633808D+01 -0.132329D+01 -0.242357D+01 -0.360402D+01
      2  -0.274952D+01 -0.334473D+01 -0.915952D+00  0.372944D+00  0.122643D+01
      3   0.113351D+01 -0.299335D+01  0.223925D+01  0.205062D+01  0.237759D+01
      4  -0.368653D+01  0.439564D+00  0.218264D+01 -0.340108D+01 -0.133772D+01
      5  -0.605899D+01 -0.132475D+00 -0.270961D+01 -0.706333D+00  0.671437D+00
      6   0.368696D+01 -0.886683D+00  0.179972D+01  0.163882D+01 -0.905981D+00
               326           327           328           329           330 
      1   0.610628D+00 -0.308390D+01  0.184012D+01 -0.143970D+01 -0.217999D+00
      2  -0.127441D+01 -0.157778D+01 -0.193192D+01 -0.129073D+01  0.852693D+00
      3   0.663786D+00  0.466168D+01  0.917958D-01  0.273043D+01 -0.634694D+00
      4   0.744384D+00  0.243289D+00  0.320945D+01 -0.951782D+00 -0.320051D+01
      5  -0.335340D+00  0.111033D+01 -0.610474D+00 -0.267710D+01  0.553084D+00
      6  -0.455217D+00  0.562994D+00 -0.138612D+01  0.102160D+01  0.517454D+01
               331           332           333 
      1  -0.371327D+01 -0.255538D+01 -0.174019D+02
      2   0.677734D+01 -0.120812D+01 -0.175034D+02
      3  -0.306407D+01  0.376350D+01  0.349054D+02
      4  -0.588852D+00 -0.427864D+01 -0.331065D+01
      5   0.854710D+01 -0.296566D+01 -0.231754D+02
      6  -0.508275D+00  0.400234D+01  0.254633D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Jul 20 04:10:14 2021, MaxMem=  5637144576 cpu:          246015.6 elap:           30833.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.59700 -14.59700 -14.59699 -14.59698 -14.59698
 Alpha  occ. eigenvalues --  -14.59697 -10.45295 -10.45295 -10.45294 -10.45287
 Alpha  occ. eigenvalues --  -10.45286 -10.45286  -3.65043  -2.46165  -2.46165
 Alpha  occ. eigenvalues --   -2.45716  -1.42898  -1.41724  -1.41724  -1.39205
 Alpha  occ. eigenvalues --   -1.39205  -1.39198  -1.22016  -1.21819  -1.21818
 Alpha  occ. eigenvalues --   -1.10764  -1.10763  -1.09543  -1.03592  -1.03194
 Alpha  occ. eigenvalues --   -1.03193  -1.03093  -1.01026  -1.01025  -1.00853
 Alpha  occ. eigenvalues --   -1.00575  -1.00574  -0.94638  -0.94636  -0.94252
 Alpha  occ. eigenvalues --   -0.92764  -0.92719  -0.92717  -0.90483  -0.89839
 Alpha  occ. eigenvalues --   -0.89839  -0.86003  -0.86002  -0.85313  -0.83674
 Alpha  occ. eigenvalues --   -0.83673  -0.83307  -0.81839  -0.80676  -0.80675
 Alpha  occ. eigenvalues --   -0.77345  -0.77344  -0.77027
 Alpha virt. eigenvalues --   -0.41383  -0.41378  -0.34837  -0.32575  -0.31862
 Alpha virt. eigenvalues --   -0.31861  -0.28446  -0.28308  -0.28308  -0.26603
 Alpha virt. eigenvalues --   -0.26602  -0.26359  -0.24577  -0.24576  -0.24063
 Alpha virt. eigenvalues --   -0.23400  -0.23400  -0.23175  -0.22351  -0.22351
 Alpha virt. eigenvalues --   -0.22065  -0.20643  -0.20106  -0.20103  -0.19806
 Alpha virt. eigenvalues --   -0.19694  -0.19693  -0.18794  -0.18793  -0.18335
 Alpha virt. eigenvalues --   -0.18217  -0.18215  -0.17139  -0.17138  -0.16950
 Alpha virt. eigenvalues --   -0.16484  -0.16243  -0.16019  -0.16018  -0.15535
 Alpha virt. eigenvalues --   -0.15169  -0.15167  -0.14971  -0.14539  -0.14537
 Alpha virt. eigenvalues --   -0.14222  -0.13895  -0.13894  -0.13480  -0.13477
 Alpha virt. eigenvalues --   -0.13360  -0.12853  -0.12561  -0.12560  -0.12196
 Alpha virt. eigenvalues --   -0.12195  -0.11919  -0.11919  -0.11659  -0.11323
 Alpha virt. eigenvalues --   -0.11322  -0.11090  -0.10618  -0.10244  -0.09789
 Alpha virt. eigenvalues --   -0.09579  -0.09578  -0.09222  -0.09029  -0.09029
 Alpha virt. eigenvalues --   -0.08927  -0.08262  -0.08262  -0.07689  -0.07412
 Alpha virt. eigenvalues --   -0.07409  -0.07138  -0.06664  -0.06663  -0.06331
 Alpha virt. eigenvalues --   -0.06018  -0.05645  -0.05642  -0.05093  -0.04668
 Alpha virt. eigenvalues --   -0.04667  -0.03916  -0.03915  -0.03521  -0.02096
 Alpha virt. eigenvalues --   -0.02095  -0.01625  -0.01555  -0.01551  -0.01311
 Alpha virt. eigenvalues --   -0.00487  -0.00487  -0.00321  -0.00319  -0.00036
 Alpha virt. eigenvalues --    0.00097   0.00345   0.00345   0.01653   0.02660
 Alpha virt. eigenvalues --    0.02809   0.02811   0.04352   0.04678   0.04679
 Alpha virt. eigenvalues --    0.05313   0.05628   0.06142   0.06143   0.07025
 Alpha virt. eigenvalues --    0.07026   0.07397   0.07399   0.07516   0.08369
 Alpha virt. eigenvalues --    0.08387   0.08387   0.09621   0.09624   0.09680
 Alpha virt. eigenvalues --    0.09736   0.10435   0.10562   0.10563   0.11359
 Alpha virt. eigenvalues --    0.11366   0.11640   0.11641   0.14227   0.14233
 Alpha virt. eigenvalues --    0.14597   0.14655   0.14657   0.14759   0.15738
 Alpha virt. eigenvalues --    0.15740   0.15918   0.16032   0.16972   0.16974
 Alpha virt. eigenvalues --    0.18377   0.18379   0.18540   0.18608   0.18809
 Alpha virt. eigenvalues --    0.18812   0.20644   0.20885   0.20891   0.21824
 Alpha virt. eigenvalues --    0.22063   0.22091   0.22099   0.22328   0.23858
 Alpha virt. eigenvalues --    0.23862   0.24259   0.24261   0.25278   0.25280
 Alpha virt. eigenvalues --    0.26164   0.26588   0.27254   0.27257   0.28429
 Alpha virt. eigenvalues --    0.29691   0.29693   0.29920   0.30219   0.30303
 Alpha virt. eigenvalues --    0.30306   0.31821   0.31823   0.32073   0.32077
 Alpha virt. eigenvalues --    0.33140   0.33447   0.33971   0.34107   0.34108
 Alpha virt. eigenvalues --    0.34832   0.34832   0.35424   0.35756   0.35761
 Alpha virt. eigenvalues --    0.35939   0.36856   0.36861   0.38707   0.38712
 Alpha virt. eigenvalues --    0.39173   0.39924   0.39927   0.40060   0.40063
 Alpha virt. eigenvalues --    0.40266   0.41267   0.41272   0.41635   0.42445
 Alpha virt. eigenvalues --    0.43241   0.43243   0.43958   0.43959   0.44044
 Alpha virt. eigenvalues --    0.45086   0.45090   0.45403   0.45723   0.45754
 Alpha virt. eigenvalues --    0.45756   0.48127   0.49054   0.49146   0.49154
 Alpha virt. eigenvalues --    0.49524   0.50371   0.50374   0.52580   0.52581
 Alpha virt. eigenvalues --    0.53818   0.54437   0.54481   0.54484   0.55502
 Alpha virt. eigenvalues --    0.55503   0.56074   0.56077   0.56509   0.56726
 Alpha virt. eigenvalues --    0.58910   0.58914   0.59421   0.59478   0.61161
 Alpha virt. eigenvalues --    0.61164   0.61754   0.62499   0.62507   0.63020
 Alpha virt. eigenvalues --    0.63022   0.64199   0.64206   0.64602   0.66538
 Alpha virt. eigenvalues --    0.66545   0.68352   0.69095   0.70631   0.70768
 Alpha virt. eigenvalues --    0.70773   0.71354   0.72156   0.72164   0.73496
 Alpha virt. eigenvalues --    0.73498   0.74016   0.76119   0.76122   0.76462
 Alpha virt. eigenvalues --    0.77009   0.77013   0.79444   0.81463   0.81832
 Alpha virt. eigenvalues --    0.81833   0.84692   0.84699   0.88203   0.89338
 Alpha virt. eigenvalues --    0.89345   0.89653   0.89656   0.90464   0.91235
 Alpha virt. eigenvalues --    0.92422   0.92423   0.94694   0.94696   0.96208
 Alpha virt. eigenvalues --    0.98253   0.98557   0.98824   0.98826   1.02044
 Alpha virt. eigenvalues --    1.03883   1.03890   1.06557   1.10209   1.10215
 Alpha virt. eigenvalues --    1.12488   1.12489   1.13729   1.14885   1.14888
 Alpha virt. eigenvalues --    1.18071   1.18080   1.20263   1.21017   1.21860
 Alpha virt. eigenvalues --    1.21866   1.25280   1.25284   1.25700   1.27365
 Alpha virt. eigenvalues --    1.27376   1.28702   1.29981   1.29988   1.30312
 Alpha virt. eigenvalues --    1.33476   1.33479   1.35459   1.37071   1.37078
 Alpha virt. eigenvalues --    1.37709   1.40239   1.40329   1.40332   1.40834
 Alpha virt. eigenvalues --    1.40844   1.42247   1.42473   1.43675   1.43678
 Alpha virt. eigenvalues --    1.44504   1.44506   1.45617   1.47944   1.47954
 Alpha virt. eigenvalues --    1.48582   1.49669   1.49674   1.50122   1.52290
 Alpha virt. eigenvalues --    1.53894   1.53901   1.55721   1.56089   1.56090
 Alpha virt. eigenvalues --    1.57027   1.57033   1.58602   1.60411   1.60414
 Alpha virt. eigenvalues --    1.62577   1.62585   1.63063   1.63070   1.63764
 Alpha virt. eigenvalues --    1.64379   1.64690   1.65746   1.66613   1.66617
 Alpha virt. eigenvalues --    1.68433   1.69623   1.69803   1.69811   1.70945
 Alpha virt. eigenvalues --    1.73533   1.74095   1.74101   1.74726   1.74729
 Alpha virt. eigenvalues --    1.74951   1.75784   1.75793   1.79403   1.79408
 Alpha virt. eigenvalues --    1.81041   1.81217   1.81229   1.83190   1.84143
 Alpha virt. eigenvalues --    1.84152   1.86761   1.87032   1.87038   1.90556
 Alpha virt. eigenvalues --    1.91793   1.92109   1.92121   1.93371   1.93374
 Alpha virt. eigenvalues --    1.93484   1.94574   1.95531   1.95545   1.96587
 Alpha virt. eigenvalues --    1.98713   1.98718   2.01819   2.01826   2.05555
 Alpha virt. eigenvalues --    2.05635   2.05642   2.07271   2.07277   2.08046
 Alpha virt. eigenvalues --    2.10419   2.10831   2.10840   2.14517   2.15190
 Alpha virt. eigenvalues --    2.16080   2.17172   2.17183   2.17464   2.17470
 Alpha virt. eigenvalues --    2.18594   2.19468   2.20018   2.20022   2.22927
 Alpha virt. eigenvalues --    2.22934   2.23658   2.24546   2.24547   2.25959
 Alpha virt. eigenvalues --    2.26299   2.26304   2.26836   2.26840   2.29237
 Alpha virt. eigenvalues --    2.31064   2.31439   2.31445   2.32784   2.33438
 Alpha virt. eigenvalues --    2.33439   2.33471   2.35428   2.35434   2.35984
 Alpha virt. eigenvalues --    2.37319   2.37736   2.37742   2.39452   2.39452
 Alpha virt. eigenvalues --    2.41214   2.41217   2.41859   2.46985   2.46992
 Alpha virt. eigenvalues --    2.50132   2.52349   2.54767   2.54771   2.58546
 Alpha virt. eigenvalues --    2.58551   2.59273   2.62867   2.65397   2.65404
 Alpha virt. eigenvalues --    2.69889   2.69897   2.71988   2.72493   2.76859
 Alpha virt. eigenvalues --    2.78931   2.78937   2.84158   2.84165   2.89194
 Alpha virt. eigenvalues --    2.91874   2.92430   2.92455   2.97409   2.97418
 Alpha virt. eigenvalues --    3.02072   3.03459   3.04235   3.04237   3.11460
 Alpha virt. eigenvalues --    3.14962   3.14974   3.39889   3.39904   3.79524
 Alpha virt. eigenvalues --    5.88148   5.88408  45.33254
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.397850   0.398819   0.365188  -2.052701   1.346199   0.008684
     2  C    0.398819   5.399561   1.347145  -2.053941   0.367122  -0.063717
     3  N    0.365188   1.347145  10.592462  -7.569752   0.720670   0.330971
     4  Rh  -2.052701  -2.053941  -7.569752  71.266792  -7.563049  -7.561456
     5  N    1.346199   0.367122   0.720670  -7.563049  10.591129   0.149386
     6  N    0.008684  -0.063717   0.330971  -7.561456   0.149386  10.590588
     7  C   -0.053353  -0.093347  -0.063236  -2.054511  -0.007316   1.346339
     8  C    0.090615  -0.053268   0.008856  -2.050827   0.221205   0.366479
     9  N    0.222116  -0.007699   0.150756  -7.570663   0.842839   0.721164
    10  N   -0.063254   0.008784   0.152446  -7.573662   0.330941   0.842933
    11  C   -0.093068  -0.053522  -0.007553  -2.052516  -0.063561   0.221172
    12  C   -0.053460   0.090637   0.222254  -2.053452   0.008378  -0.006873
    13  N   -0.006712   0.220973   0.842898  -7.557955   0.149916   0.148322
    14  H    0.008373  -0.000624   0.022463   0.551809   0.012633   0.004227
    15  H   -0.011924   0.001977  -0.026727   0.297401  -0.041435   0.022670
    16  H   -0.000736  -0.004165  -0.004979   0.550737  -0.020215  -0.677507
    17  H   -0.000776   0.008831  -0.012511   0.298878   0.053131  -0.165335
    18  H   -0.004165  -0.000769  -0.020523   0.551870  -0.005008   0.012698
    19  H    0.008876  -0.000789   0.053742   0.297536  -0.012477  -0.041513
    20  H   -0.000744   0.008421   0.012504   0.549712   0.022404  -0.020142
    21  H    0.002065  -0.011983  -0.041446   0.300497  -0.026530   0.052888
    22  H   -0.103183   0.069748  -0.676801   0.551459   0.004173  -0.005019
    23  H   -0.086478  -0.423748  -0.165286   0.298796   0.022395  -0.012484
    24  H    0.070072  -0.103002   0.004203   0.550787  -0.677024   0.022436
    25  H   -0.423019  -0.086966   0.022510   0.298999  -0.165528  -0.026610
    26  H   -0.129407   0.043268  -0.006751  -0.155475   0.348423  -0.029539
    27  H   -0.005700  -0.016604   0.000903   0.110219   0.151133   0.017709
    28  H    0.043333  -0.129806   0.347734  -0.154854  -0.007278   0.015836
    29  H   -0.016806  -0.005563   0.150952   0.109777   0.001166  -0.004363
    30  H    0.012120  -0.006916   0.004817  -0.155333  -0.029531   0.073484
    31  H    0.021388   0.016375   0.026301   0.109615   0.017740  -0.086777
    32  H    0.006428   0.005623   0.073693  -0.154923   0.015808   0.004674
    33  H   -0.004139  -0.016848  -0.086407   0.110322  -0.004354   0.026245
    34  H    0.005596   0.006431   0.015729  -0.155222   0.073476   0.348313
    35  H   -0.016826  -0.004194  -0.004392   0.109613  -0.086840   0.151647
    36  H   -0.006772   0.011972  -0.029623  -0.154688   0.004665  -0.007231
    37  H    0.016313   0.021580   0.017925   0.109714   0.026331   0.001143
               7          8          9         10         11         12
     1  C   -0.053353   0.090615   0.222116  -0.063254  -0.093068  -0.053460
     2  C   -0.093347  -0.053268  -0.007699   0.008784  -0.053522   0.090637
     3  N   -0.063236   0.008856   0.150756   0.152446  -0.007553   0.222254
     4  Rh  -2.054511  -2.050827  -7.570663  -7.573662  -2.052516  -2.053452
     5  N   -0.007316   0.221205   0.842839   0.330941  -0.063561   0.008378
     6  N    1.346339   0.366479   0.721164   0.842933   0.221172  -0.006873
     7  C    5.398265   0.398343   0.366136   0.222986   0.090786  -0.053267
     8  C    0.398343   5.398355   1.346328  -0.008357  -0.053318  -0.093362
     9  N    0.366136   1.346328  10.592135   0.152798   0.009205  -0.063468
    10  N    0.222986  -0.008357   0.152798  10.594177   1.347009   0.365681
    11  C    0.090786  -0.053318   0.009205   1.347009   5.399241   0.398666
    12  C   -0.053267  -0.093362  -0.063468   0.365681   0.398666   5.398367
    13  N    0.008756  -0.063678   0.331135   0.720546   0.365738   1.346256
    14  H   -0.103393   0.069993  -0.677365  -0.020482  -0.000763  -0.004180
    15  H   -0.086155  -0.423466  -0.164598   0.053620  -0.000749   0.008863
    16  H    0.070276  -0.103173   0.004425   0.012571   0.008387  -0.000680
    17  H   -0.422879  -0.086758   0.022346  -0.041467  -0.011934   0.001998
    18  H    0.008382  -0.000612   0.022457  -0.676987   0.069779  -0.103462
    19  H   -0.011953   0.001989  -0.026759  -0.164584  -0.424427  -0.085947
    20  H   -0.000741  -0.004172  -0.005009   0.004179  -0.102571   0.070158
    21  H   -0.000768   0.008854  -0.012435   0.022497  -0.087635  -0.422755
    22  H   -0.004175  -0.000754  -0.020419   0.022421  -0.000679   0.008406
    23  H    0.008859  -0.000781   0.053489  -0.026684   0.002035  -0.011966
    24  H   -0.000681   0.008387   0.012527  -0.004981  -0.004151  -0.000743
    25  H    0.002029  -0.011962  -0.041474  -0.012452   0.008849  -0.000787
    26  H    0.012084  -0.006903   0.004700   0.015746   0.006409   0.005604
    27  H    0.021472   0.016319   0.026261  -0.004368  -0.004179  -0.016805
    28  H    0.006459   0.005608   0.073644  -0.029572   0.011992  -0.006791
    29  H   -0.004163  -0.016859  -0.086604   0.017951   0.021489   0.016394
    30  H    0.005596   0.006435   0.015774  -0.006733   0.043366  -0.129478
    31  H   -0.016827  -0.004207  -0.004400   0.000840  -0.016556  -0.005577
    32  H   -0.006772   0.011908  -0.029465   0.347914  -0.129741   0.043236
    33  H    0.016351   0.021541   0.017876   0.150267  -0.005616  -0.016808
    34  H   -0.129432   0.043335  -0.006802   0.004592  -0.006929   0.012131
    35  H   -0.005536  -0.016655   0.000949   0.026325   0.016307   0.021469
    36  H    0.043319  -0.129742   0.348176   0.073661   0.005610   0.006447
    37  H   -0.016843  -0.005445   0.151179  -0.086741  -0.016867  -0.004162
              13         14         15         16         17         18
     1  C   -0.006712   0.008373  -0.011924  -0.000736  -0.000776  -0.004165
     2  C    0.220973  -0.000624   0.001977  -0.004165   0.008831  -0.000769
     3  N    0.842898   0.022463  -0.026727  -0.004979  -0.012511  -0.020523
     4  Rh  -7.557955   0.551809   0.297401   0.550737   0.298878   0.551870
     5  N    0.149916   0.012633  -0.041435  -0.020215   0.053131  -0.005008
     6  N    0.148322   0.004227   0.022670  -0.677507  -0.165335   0.012698
     7  C    0.008756  -0.103393  -0.086155   0.070276  -0.422879   0.008382
     8  C   -0.063678   0.069993  -0.423466  -0.103173  -0.086758  -0.000612
     9  N    0.331135  -0.677365  -0.164598   0.004425   0.022346   0.022457
    10  N    0.720546  -0.020482   0.053620   0.012571  -0.041467  -0.676987
    11  C    0.365738  -0.000763  -0.000749   0.008387  -0.011934   0.069779
    12  C    1.346256  -0.004180   0.008863  -0.000680   0.001998  -0.103462
    13  N   10.587830  -0.005017  -0.012516   0.022467  -0.026583   0.004187
    14  H   -0.005017   2.200136  -0.543334  -0.051514  -0.167720  -0.000144
    15  H   -0.012516  -0.543334   2.434327  -0.167693   0.174762   0.000595
    16  H    0.022467  -0.051514  -0.167693   2.199951  -0.542957   0.002235
    17  H   -0.026583  -0.167720   0.174762  -0.542957   2.434155  -0.000479
    18  H    0.004187  -0.000144   0.000595   0.002235  -0.000479   2.200317
    19  H    0.022595   0.000182  -0.002135  -0.000477  -0.001307  -0.543471
    20  H   -0.676435   0.000090  -0.000346  -0.000149   0.000180  -0.051625
    21  H   -0.166448  -0.000346   0.002848   0.000601  -0.002109  -0.167619
    22  H    0.012581  -0.000147   0.000181   0.000091  -0.000349  -0.000149
    23  H   -0.041367   0.000594  -0.002128  -0.000349   0.002854   0.000187
    24  H   -0.020268   0.002235  -0.000476  -0.000147   0.000594   0.000091
    25  H    0.053270  -0.000480  -0.001306   0.000184  -0.002120  -0.000349
    26  H    0.073505  -0.002275  -0.001512  -0.000920   0.010792   0.000369
    27  H   -0.086660   0.005509  -0.004944   0.005812  -0.012033  -0.001157
    28  H    0.004889  -0.000481   0.000225   0.000372   0.000030  -0.000896
    29  H    0.026270   0.003232  -0.001807  -0.001151   0.000503   0.005795
    30  H    0.347921   0.000371   0.000028  -0.000477   0.000226   0.010308
    31  H    0.151878  -0.001159   0.000513   0.003233  -0.001788   0.002617
    32  H   -0.007256  -0.000903   0.010823  -0.002296  -0.001495  -0.027246
    33  H    0.001159   0.005811  -0.012115   0.005521  -0.004961   0.049487
    34  H   -0.029550   0.010300  -0.023907  -0.027187   0.053800  -0.002280
    35  H    0.017799   0.002625  -0.003256   0.049527  -0.100803   0.005509
    36  H    0.015797  -0.027263   0.053853   0.010320  -0.023817  -0.000483
    37  H   -0.004385   0.049523  -0.100790   0.002619  -0.003289   0.003232
              19         20         21         22         23         24
     1  C    0.008876  -0.000744   0.002065  -0.103183  -0.086478   0.070072
     2  C   -0.000789   0.008421  -0.011983   0.069748  -0.423748  -0.103002
     3  N    0.053742   0.012504  -0.041446  -0.676801  -0.165286   0.004203
     4  Rh   0.297536   0.549712   0.300497   0.551459   0.298796   0.550787
     5  N   -0.012477   0.022404  -0.026530   0.004173   0.022395  -0.677024
     6  N   -0.041513  -0.020142   0.052888  -0.005019  -0.012484   0.022436
     7  C   -0.011953  -0.000741  -0.000768  -0.004175   0.008859  -0.000681
     8  C    0.001989  -0.004172   0.008854  -0.000754  -0.000781   0.008387
     9  N   -0.026759  -0.005009  -0.012435  -0.020419   0.053489   0.012527
    10  N   -0.164584   0.004179   0.022497   0.022421  -0.026684  -0.004981
    11  C   -0.424427  -0.102571  -0.087635  -0.000679   0.002035  -0.004151
    12  C   -0.085947   0.070158  -0.422755   0.008406  -0.011966  -0.000743
    13  N    0.022595  -0.676435  -0.166448   0.012581  -0.041367  -0.020268
    14  H    0.000182   0.000090  -0.000346  -0.000147   0.000594   0.002235
    15  H   -0.002135  -0.000346   0.002848   0.000181  -0.002128  -0.000476
    16  H   -0.000477  -0.000149   0.000601   0.000091  -0.000349  -0.000147
    17  H   -0.001307   0.000180  -0.002109  -0.000349   0.002854   0.000594
    18  H   -0.543471  -0.051625  -0.167619  -0.000149   0.000187   0.000091
    19  H    2.435051  -0.167460   0.174639   0.000594  -0.002136  -0.000349
    20  H   -0.167460   2.199599  -0.542825   0.002244  -0.000479  -0.000151
    21  H    0.174639  -0.542825   2.434108  -0.000482  -0.001307   0.000185
    22  H    0.000594   0.002244  -0.000482   2.200001  -0.543220  -0.051624
    23  H   -0.002136  -0.000479  -0.001307  -0.543220   2.434263  -0.167525
    24  H   -0.000349  -0.000151   0.000185  -0.051624  -0.167525   2.199909
    25  H    0.002853   0.000597  -0.002116  -0.167553   0.174594  -0.542962
    26  H    0.000031  -0.000475   0.000226   0.010286  -0.023909  -0.027209
    27  H    0.000514   0.003227  -0.001782   0.002625  -0.003263   0.049490
    28  H    0.010869  -0.002311  -0.001489  -0.027256   0.053884   0.010333
    29  H   -0.012128   0.005525  -0.004956   0.049525  -0.100691   0.002617
    30  H   -0.023992  -0.027191   0.053799  -0.002295  -0.001504  -0.000925
    31  H   -0.003212   0.049489  -0.100750   0.005516  -0.004941   0.005799
    32  H    0.053933   0.010305  -0.023828  -0.000480   0.000226   0.000370
    33  H   -0.100734   0.002635  -0.003329   0.003223  -0.001801  -0.001150
    34  H   -0.001514  -0.000919   0.010754   0.000370   0.000029  -0.000478
    35  H   -0.004944   0.005804  -0.011974  -0.001159   0.000512   0.003233
    36  H    0.000228   0.000371   0.000031  -0.000899   0.010793  -0.002291
    37  H   -0.001811  -0.001153   0.000505   0.005799  -0.012081   0.005513
              25         26         27         28         29         30
     1  C   -0.423019  -0.129407  -0.005700   0.043333  -0.016806   0.012120
     2  C   -0.086966   0.043268  -0.016604  -0.129806  -0.005563  -0.006916
     3  N    0.022510  -0.006751   0.000903   0.347734   0.150952   0.004817
     4  Rh   0.298999  -0.155475   0.110219  -0.154854   0.109777  -0.155333
     5  N   -0.165528   0.348423   0.151133  -0.007278   0.001166  -0.029531
     6  N   -0.026610  -0.029539   0.017709   0.015836  -0.004363   0.073484
     7  C    0.002029   0.012084   0.021472   0.006459  -0.004163   0.005596
     8  C   -0.011962  -0.006903   0.016319   0.005608  -0.016859   0.006435
     9  N   -0.041474   0.004700   0.026261   0.073644  -0.086604   0.015774
    10  N   -0.012452   0.015746  -0.004368  -0.029572   0.017951  -0.006733
    11  C    0.008849   0.006409  -0.004179   0.011992   0.021489   0.043366
    12  C   -0.000787   0.005604  -0.016805  -0.006791   0.016394  -0.129478
    13  N    0.053270   0.073505  -0.086660   0.004889   0.026270   0.347921
    14  H   -0.000480  -0.002275   0.005509  -0.000481   0.003232   0.000371
    15  H   -0.001306  -0.001512  -0.004944   0.000225  -0.001807   0.000028
    16  H    0.000184  -0.000920   0.005812   0.000372  -0.001151  -0.000477
    17  H   -0.002120   0.010792  -0.012033   0.000030   0.000503   0.000226
    18  H   -0.000349   0.000369  -0.001157  -0.000896   0.005795   0.010308
    19  H    0.002853   0.000031   0.000514   0.010869  -0.012128  -0.023992
    20  H    0.000597  -0.000475   0.003227  -0.002311   0.005525  -0.027191
    21  H   -0.002116   0.000226  -0.001782  -0.001489  -0.004956   0.053799
    22  H   -0.167553   0.010286   0.002625  -0.027256   0.049525  -0.002295
    23  H    0.174594  -0.023909  -0.003263   0.053884  -0.100691  -0.001504
    24  H   -0.542962  -0.027209   0.049490   0.010333   0.002617  -0.000925
    25  H    2.434140   0.053824  -0.100790  -0.023886  -0.003271   0.010826
    26  H    0.053824   0.855920  -0.159953  -0.000416   0.002460   0.002636
    27  H   -0.100790  -0.159953   0.925069   0.002450  -0.000235   0.000459
    28  H   -0.023886  -0.000416   0.002450   0.856479  -0.160084   0.011163
    29  H   -0.003271   0.002460  -0.000235  -0.160084   0.925522  -0.005837
    30  H    0.010826   0.002636   0.000459   0.011163  -0.005837   0.856059
    31  H   -0.012033  -0.002132   0.005210  -0.005857   0.004239  -0.159909
    32  H    0.000034  -0.000661   0.001083   0.002630  -0.002116  -0.000414
    33  H    0.000507   0.001080  -0.000534   0.000481   0.005178   0.002451
    34  H    0.000224   0.002631  -0.002148  -0.000665   0.001082   0.002634
    35  H   -0.001787   0.000464   0.005233   0.001088  -0.000536  -0.002143
    36  H   -0.001502   0.011126  -0.005841   0.002627   0.000472  -0.000663
    37  H   -0.004952  -0.005827   0.004235  -0.002127   0.005211   0.001085
              31         32         33         34         35         36
     1  C    0.021388   0.006428  -0.004139   0.005596  -0.016826  -0.006772
     2  C    0.016375   0.005623  -0.016848   0.006431  -0.004194   0.011972
     3  N    0.026301   0.073693  -0.086407   0.015729  -0.004392  -0.029623
     4  Rh   0.109615  -0.154923   0.110322  -0.155222   0.109613  -0.154688
     5  N    0.017740   0.015808  -0.004354   0.073476  -0.086840   0.004665
     6  N   -0.086777   0.004674   0.026245   0.348313   0.151647  -0.007231
     7  C   -0.016827  -0.006772   0.016351  -0.129432  -0.005536   0.043319
     8  C   -0.004207   0.011908   0.021541   0.043335  -0.016655  -0.129742
     9  N   -0.004400  -0.029465   0.017876  -0.006802   0.000949   0.348176
    10  N    0.000840   0.347914   0.150267   0.004592   0.026325   0.073661
    11  C   -0.016556  -0.129741  -0.005616  -0.006929   0.016307   0.005610
    12  C   -0.005577   0.043236  -0.016808   0.012131   0.021469   0.006447
    13  N    0.151878  -0.007256   0.001159  -0.029550   0.017799   0.015797
    14  H   -0.001159  -0.000903   0.005811   0.010300   0.002625  -0.027263
    15  H    0.000513   0.010823  -0.012115  -0.023907  -0.003256   0.053853
    16  H    0.003233  -0.002296   0.005521  -0.027187   0.049527   0.010320
    17  H   -0.001788  -0.001495  -0.004961   0.053800  -0.100803  -0.023817
    18  H    0.002617  -0.027246   0.049487  -0.002280   0.005509  -0.000483
    19  H   -0.003212   0.053933  -0.100734  -0.001514  -0.004944   0.000228
    20  H    0.049489   0.010305   0.002635  -0.000919   0.005804   0.000371
    21  H   -0.100750  -0.023828  -0.003329   0.010754  -0.011974   0.000031
    22  H    0.005516  -0.000480   0.003223   0.000370  -0.001159  -0.000899
    23  H   -0.004941   0.000226  -0.001801   0.000029   0.000512   0.010793
    24  H    0.005799   0.000370  -0.001150  -0.000478   0.003233  -0.002291
    25  H   -0.012033   0.000034   0.000507   0.000224  -0.001787  -0.001502
    26  H   -0.002132  -0.000661   0.001080   0.002631   0.000464   0.011126
    27  H    0.005210   0.001083  -0.000534  -0.002148   0.005233  -0.005841
    28  H   -0.005857   0.002630   0.000481  -0.000665   0.001088   0.002627
    29  H    0.004239  -0.002116   0.005178   0.001082  -0.000536   0.000472
    30  H   -0.159909  -0.000414   0.002451   0.002634  -0.002143  -0.000663
    31  H    0.924820   0.002453  -0.000236   0.000457   0.005226   0.001083
    32  H    0.002453   0.856510  -0.160060   0.011169  -0.005854   0.002629
    33  H   -0.000236  -0.160060   0.925718  -0.005837   0.004237  -0.002130
    34  H    0.000457   0.011169  -0.005837   0.855879  -0.159901  -0.000423
    35  H    0.005226  -0.005854   0.004237  -0.159901   0.924929   0.002457
    36  H    0.001083   0.002629  -0.002130  -0.000423   0.002457   0.856160
    37  H   -0.000538   0.000475   0.005206   0.002462  -0.000231  -0.160052
              37
     1  C    0.016313
     2  C    0.021580
     3  N    0.017925
     4  Rh   0.109714
     5  N    0.026331
     6  N    0.001143
     7  C   -0.016843
     8  C   -0.005445
     9  N    0.151179
    10  N   -0.086741
    11  C   -0.016867
    12  C   -0.004162
    13  N   -0.004385
    14  H    0.049523
    15  H   -0.100790
    16  H    0.002619
    17  H   -0.003289
    18  H    0.003232
    19  H   -0.001811
    20  H   -0.001153
    21  H    0.000505
    22  H    0.005799
    23  H   -0.012081
    24  H    0.005513
    25  H   -0.004952
    26  H   -0.005827
    27  H    0.004235
    28  H   -0.002127
    29  H    0.005211
    30  H    0.001085
    31  H   -0.000538
    32  H    0.000475
    33  H    0.005206
    34  H    0.002462
    35  H   -0.000231
    36  H   -0.160052
    37  H    0.925237
 Mulliken charges:
               1
     1  C    1.109189
     2  C    1.110206
     3  N    0.228865
     4  Rh  -1.379554
     5  N    0.228883
     6  N    0.228557
     7  C    1.108911
     8  C    1.109747
     9  N    0.228744
    10  N    0.229439
    11  C    1.110299
    12  C    1.109079
    13  N    0.228143
    14  H   -0.342516
    15  H   -0.429365
    16  H   -0.342559
    17  H   -0.429611
    18  H   -0.342693
    19  H   -0.429512
    20  H   -0.342546
    21  H   -0.429586
    22  H   -0.342602
    23  H   -0.429384
    24  H   -0.342646
    25  H   -0.429533
    26  H    0.091778
    27  H    0.072063
    28  H    0.091645
    29  H    0.071809
    30  H    0.091784
    31  H    0.072107
    32  H    0.091588
    33  H    0.071763
    34  H    0.091799
    35  H    0.072078
    36  H    0.091624
    37  H    0.072005
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.337011
     2  C    0.338219
     3  N    0.392319
     4  Rh  -1.379554
     5  N    0.392724
     6  N    0.392435
     7  C    0.336742
     8  C    0.337866
     9  N    0.392373
    10  N    0.392790
    11  C    0.338094
    12  C    0.336948
    13  N    0.392033
 Electronic spatial extent (au):  <R**2>=           2772.6645
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0005    Y=              0.0003    Z=              0.0022  Tot=              0.0022
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.1712   YY=            -31.1753   ZZ=            -51.5641
   XY=             -0.0019   XZ=             -0.0012   YZ=             -0.0021
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.7990   YY=              6.7949   ZZ=            -13.5939
   XY=             -0.0019   XZ=             -0.0012   YZ=             -0.0021
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             21.0154  YYY=            -31.4778  ZZZ=              0.0139  XYY=            -21.0081
  XXY=             31.4828  XXZ=              0.0032  XZZ=              0.0111  YZZ=             -0.0007
  YYZ=             -0.0018  XYZ=              0.0013
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -958.8388 YYYY=           -958.6459 ZZZZ=           -412.1450 XXXY=             -0.0278
 XXXZ=            -32.4952 YYYX=             -0.0190 YYYZ=            -21.6867 ZZZX=             -0.0079
 ZZZY=             -0.0120 XXYY=           -319.5936 XXZZ=           -238.2489 YYZZ=           -238.2255
 XXYZ=             21.6568 YYXZ=             32.4869 ZZXY=              0.0014
 N-N= 1.198185110711D+03 E-N=-3.902742489786D+03  KE= 6.060367167764D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Jul 20 04:10:15 2021, MaxMem=  5637144576 cpu:               6.9 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.91296448D-04 1.38903366D-04 8.50858411D-04
 Polarizability= 1.47873068D+02-2.36766975D-03 1.47869736D+02
                -9.99417547D-05-2.53382388D-03 1.22516732D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0019    0.0000        0.0020   -0.0013
 2     -0.0019   -0.0000        0.0014    0.0017       -0.0046   -0.0028
 3     -0.0020    0.0013       13.9004   13.8960       -0.0018   -0.0017
 4     -0.0014   -0.0017        0.0000    0.0000        0.0050    0.0013
 5    -13.8958  -13.8931       -0.0050   -0.0013       -0.0010    0.0000
 6      0.0018    0.0017        0.0010   -0.0000       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0001   -0.0001       -0.0040   -0.0040
 2     -0.0051   -0.0051       -0.0000    0.0000       -0.0040   -0.0040
 3     -0.0051   -0.0051       -0.0001   -0.0001       -0.0000    0.0000
 4     -0.0001   -0.0001        0.0051    0.0051       -0.0085   -0.0085
 5      0.0040    0.0040       41.6880   41.6880       -0.0051   -0.0051
 6    -41.6794  -41.6794       -0.0040   -0.0040        0.0001    0.0001
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0212    0.0000       -0.0156   -0.0001        0.0325    0.0053
 2      0.0476    0.0001       -0.0110   -0.0068        0.1158    0.0114
 3      0.0176   -0.0053      -55.5929  -55.5840        0.0463    0.0068
 4     -0.0547    0.0068       -0.1125    0.0000        0.0242   -0.0053
 5     55.5422   55.5726        0.0224    0.0053        0.0374   -0.0001
 6     -0.0220   -0.0068       -0.0274    0.0001       -0.0095    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2787    0.0000       -0.4036   -0.0121       -0.3643   -0.0183
 2     -0.1194    0.0121        0.2298   -0.0142       -0.2277   -0.0383
 3     -0.0912    0.0183        6.8060    7.1629       -0.3625    0.0142
 4      0.1443    0.0142        0.3634    0.0000        0.2050    0.0183
 5     -6.7218   -7.1246        0.0921   -0.0183        0.0771   -0.0121
 6      0.0661   -0.0142        0.0790    0.0121        0.1010    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -61.1621  -61.2078      -91.7556  -91.7214       -0.0569    0.0214
 2    -61.1576  -61.2188      -91.7389  -91.7290        0.0100    0.0214
 3    -61.1548  -61.2188      -91.7663  -91.7214        0.0046    0.0271
 4      0.1039    0.0077       -0.0440    0.0110        0.2022   -0.0018
 5      0.0632    0.0058      -32.9714  -33.0315       -0.1572   -0.0110
 6     33.1679   33.0333       -0.0107   -0.0058       -0.1606   -0.0077
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.2086   -0.0004   -0.0003    0.0004    3.3662   11.2833
 Low frequencies ---   79.3119   82.1585   89.6210
 Diagonal vibrational polarizability:
       12.5681142      12.4987150      14.3707008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.3063                82.1497                89.6203
 Red. masses --      2.9290                 2.9306                 2.8178
 Frc consts  --      0.0109                 0.0117                 0.0133
 IR Inten    --      0.0043                 0.0049                 0.0046
 RamAct Fr= 1--      1.2679                 1.2284                 0.0477
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7486
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1811                 0.1755                 0.0068
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.5075                -0.5005                -0.0187
 Delta2 Fr= 1--     -0.0439                -0.0486                -0.0020
 Raman1 Fr= 1--       5.071                  4.914                  0.191
 ROA1   Fr= 1--     -50.126                -49.600                 -1.855
 CID1   Fr= 1--      -9.884                -10.094                 -9.714
 Raman2 Fr= 1--       2.173                  2.106                  0.082
 ROA2   Fr= 1--     -11.829                -11.622                 -0.432
 CID2   Fr= 1--      -5.442                 -5.519                 -5.286
 Raman3 Fr= 1--       4.347                  4.212                  0.164
 ROA3   Fr= 1--     -50.126                -49.600                 -1.855
 CID3   Fr= 1--     -11.532                -11.777                -11.346
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.18  -0.05  -0.04     0.06  -0.08  -0.11
     2   6     0.06  -0.05  -0.02     0.17  -0.00  -0.04     0.09   0.05  -0.11
     3   7     0.02  -0.06  -0.01    -0.01  -0.04   0.03    -0.04   0.05   0.04
     4  45    -0.02  -0.04   0.00    -0.04   0.02  -0.01    -0.01   0.00   0.05
     5   7    -0.04  -0.03   0.03     0.03   0.05   0.02    -0.05  -0.03   0.03
     6   7    -0.07   0.01   0.01    -0.02   0.03  -0.04     0.06  -0.03   0.02
     7   6    -0.06   0.15  -0.05    -0.03  -0.14   0.06     0.04   0.04  -0.09
     8   6    -0.09   0.10  -0.04     0.05  -0.15   0.06    -0.06  -0.01  -0.09
     9   7     0.01  -0.02   0.04    -0.04  -0.03  -0.01    -0.04  -0.07   0.03
    10   7     0.05  -0.02  -0.02    -0.06  -0.01  -0.04     0.06   0.01   0.03
    11   6     0.11   0.16   0.06    -0.02   0.07   0.03     0.01  -0.06  -0.10
    12   6     0.15   0.10   0.06     0.04   0.08   0.04    -0.07   0.02  -0.10
    13   7    -0.03   0.01  -0.04    -0.02   0.05   0.01    -0.00   0.08   0.03
    14   1    -0.07   0.19  -0.06     0.05  -0.26   0.13    -0.07   0.03  -0.16
    15   1    -0.20   0.04  -0.08     0.19  -0.11   0.05    -0.15  -0.04  -0.10
    16   1    -0.13   0.23  -0.10     0.05  -0.21   0.10     0.03   0.08  -0.16
    17   1     0.06   0.20  -0.03    -0.16  -0.17   0.09     0.13   0.07  -0.10
    18   1     0.24   0.21   0.11     0.01   0.08   0.04    -0.03  -0.10  -0.17
    19   1    -0.01   0.27   0.06    -0.08   0.10   0.07     0.09  -0.13  -0.10
    20   1     0.18   0.23   0.10     0.07   0.14   0.09    -0.10  -0.02  -0.17
    21   1     0.27  -0.01   0.08     0.11   0.04   0.01    -0.15   0.10  -0.11
    22   1     0.10  -0.07  -0.05     0.26  -0.08  -0.07     0.16   0.02  -0.19
    23   1     0.09  -0.00   0.01     0.19   0.14  -0.06     0.11   0.20  -0.12
    24   1     0.03  -0.04  -0.01     0.30  -0.01  -0.08     0.15  -0.07  -0.20
    25   1    -0.01  -0.09  -0.05     0.15  -0.19  -0.04     0.03  -0.22  -0.12
    26   1    -0.03  -0.00   0.08     0.08   0.16   0.09    -0.02   0.04   0.14
    27   1    -0.10  -0.02   0.03    -0.05   0.05   0.01    -0.18  -0.07   0.03
    28   1     0.02  -0.09  -0.02    -0.00  -0.15   0.12    -0.04  -0.03   0.15
    29   1     0.02  -0.05  -0.01    -0.10   0.00   0.02    -0.15   0.14   0.03
    30   1    -0.10   0.11  -0.14    -0.05   0.08  -0.01     0.02   0.04   0.12
    31   1    -0.08  -0.10  -0.03    -0.02   0.02   0.01     0.02   0.20   0.03
    32   1     0.15  -0.08  -0.11    -0.01  -0.02  -0.11     0.01   0.02   0.10
    33   1    -0.04  -0.08  -0.02    -0.13  -0.05  -0.03     0.16   0.03   0.02
    34   1    -0.16  -0.01   0.06     0.07   0.03  -0.15     0.02  -0.03   0.10
    35   1    -0.02  -0.04   0.00    -0.10   0.13  -0.03     0.14  -0.09   0.02
    36   1     0.08   0.03   0.13    -0.12  -0.08  -0.08    -0.01  -0.04   0.11
    37   1     0.02  -0.13   0.03    -0.03   0.06  -0.01    -0.06  -0.17   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    145.4431               146.0857               167.3231
 Red. masses --      2.9558                 2.9495                 2.6774
 Frc consts  --      0.0368                 0.0371                 0.0442
 IR Inten    --      0.9057                 0.8614                 0.0103
 RamAct Fr= 1--      0.3381                 0.3562                 1.5678
  Dep-P Fr= 1--      0.7498                 0.7490                 0.6890
  Dep-U Fr= 1--      0.8570                 0.8565                 0.8159
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0017
 Beta2  Fr= 1--      0.0483                 0.0508                 0.2132
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0080
 Gamma2 Fr= 1--      0.6585                 0.6768                -1.0944
 Delta2 Fr= 1--      0.2123                 0.2173                -0.4114
 Raman1 Fr= 1--       1.352                  1.425                  6.271
 ROA1   Fr= 1--      70.014                 71.927               -118.229
 CID1   Fr= 1--      51.776                 50.480                -18.853
 Raman2 Fr= 1--       0.579                  0.610                  2.558
 ROA2   Fr= 1--      14.106                 14.506                -22.975
 CID2   Fr= 1--      24.343                 23.773                 -8.981
 Raman3 Fr= 1--       1.159                  1.220                  5.116
 ROA3   Fr= 1--      70.014                 71.927               -118.229
 CID3   Fr= 1--      60.412                 58.940                -23.108
 RC180  Fr= 1--       0.714                  0.713                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.07     0.11  -0.03   0.06     0.08  -0.04  -0.01
     2   6     0.12  -0.02   0.05    -0.04  -0.04   0.07    -0.10  -0.00   0.01
     3   7     0.11  -0.04  -0.05    -0.08  -0.04   0.08    -0.09   0.02   0.07
     4  45    -0.01   0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
     5   7    -0.06   0.06   0.08     0.12  -0.00  -0.05     0.08  -0.02  -0.07
     6   7     0.06  -0.04  -0.00     0.01  -0.12   0.09    -0.02   0.09  -0.07
     7   6     0.04  -0.07  -0.08    -0.01  -0.09   0.03    -0.00   0.10  -0.01
     8   6    -0.02  -0.04  -0.09    -0.06   0.10   0.01     0.06  -0.09   0.01
     9   7    -0.05  -0.02  -0.04    -0.05   0.12  -0.08     0.04  -0.09   0.07
    10   7     0.05   0.11   0.09     0.08   0.03   0.01     0.05   0.07   0.07
    11   6     0.03   0.09   0.04     0.07   0.06  -0.08     0.04   0.09   0.01
    12   6    -0.10  -0.07   0.01    -0.01   0.04  -0.09    -0.08  -0.06  -0.01
    13   7    -0.09  -0.09  -0.08    -0.05   0.03  -0.05    -0.06  -0.07  -0.07
    14   1    -0.04  -0.05  -0.14    -0.07   0.17  -0.07     0.07  -0.17   0.10
    15   1    -0.04  -0.03  -0.06    -0.11   0.16   0.14     0.13  -0.14  -0.12
    16   1     0.08  -0.10  -0.09     0.01  -0.14   0.12    -0.05   0.17  -0.10
    17   1     0.04  -0.09  -0.12    -0.01  -0.16  -0.10     0.02   0.18   0.12
    18   1     0.07   0.13   0.13     0.12   0.07  -0.07     0.10   0.13   0.10
    19   1     0.05   0.16  -0.09     0.08   0.09  -0.13     0.05   0.17  -0.11
    20   1    -0.13  -0.14  -0.06    -0.03   0.05  -0.14    -0.12  -0.13  -0.09
    21   1    -0.16  -0.11   0.15    -0.04   0.03  -0.05    -0.16  -0.08   0.12
    22   1     0.17  -0.05   0.00    -0.08  -0.04   0.16    -0.17   0.03   0.09
    23   1     0.17  -0.01   0.15    -0.10  -0.05  -0.02    -0.17  -0.03  -0.11
    24   1    -0.06   0.06   0.15     0.18  -0.02   0.01     0.16  -0.04  -0.09
    25   1    -0.07   0.08  -0.03     0.16  -0.05   0.16     0.14  -0.10   0.11
    26   1    -0.05   0.06   0.16     0.11   0.03  -0.16     0.08   0.00  -0.14
    27   1    -0.13   0.12   0.07     0.23  -0.01  -0.04     0.15  -0.04  -0.06
    28   1     0.09  -0.07  -0.17    -0.07  -0.04   0.16    -0.08   0.04   0.14
    29   1     0.22  -0.07  -0.04    -0.16  -0.06   0.07    -0.17   0.03   0.06
    30   1    -0.06  -0.10  -0.22    -0.06   0.04  -0.07    -0.04  -0.08  -0.15
    31   1    -0.18  -0.18  -0.06    -0.10   0.04  -0.05    -0.12  -0.13  -0.06
    32   1     0.05   0.08   0.21     0.10   0.00   0.07     0.07   0.05   0.14
    33   1     0.10   0.21   0.08     0.14   0.05   0.00     0.09   0.13   0.06
    34   1     0.09  -0.03   0.05     0.01  -0.10   0.21    -0.05   0.08  -0.15
    35   1     0.11  -0.08  -0.00     0.02  -0.24   0.07    -0.04   0.17  -0.06
    36   1    -0.07  -0.03  -0.05    -0.02   0.11  -0.21     0.00  -0.09   0.15
    37   1    -0.10  -0.02  -0.04    -0.10   0.23  -0.06     0.07  -0.17   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    217.6300               219.9432               225.8217
 Red. masses --      2.8494                 2.8634                 2.9493
 Frc consts  --      0.0795                 0.0816                 0.0886
 IR Inten    --      3.9561                 3.8975                18.2078
 RamAct Fr= 1--      3.2743                 3.3012                 0.0507
  Dep-P Fr= 1--      0.7497                 0.7500                 0.7374
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8489
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4677                 0.4716                 0.0072
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.2481                 0.2645                 0.0003
 Delta2 Fr= 1--      0.2007                 0.1997                 0.0007
 Raman1 Fr= 1--      13.097                 13.205                  0.203
 ROA1   Fr= 1--      30.246                 31.782                  0.052
 CID1   Fr= 1--       2.309                  2.407                  0.256
 Raman2 Fr= 1--       5.612                  5.659                  0.086
 ROA2   Fr= 1--       4.350                  4.750                  0.002
 CID2   Fr= 1--       0.775                  0.839                  0.027
 Raman3 Fr= 1--      11.224                 11.318                  0.172
 ROA3   Fr= 1--      30.246                 31.782                  0.052
 CID3   Fr= 1--       2.695                  2.808                  0.302
 RC180  Fr= 1--       0.714                  0.714                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.01    -0.05  -0.09   0.00    -0.03  -0.01  -0.04
     2   6     0.01  -0.07   0.00     0.01  -0.08  -0.00    -0.03   0.01  -0.04
     3   7     0.14  -0.06  -0.11    -0.01  -0.07   0.03     0.09   0.04  -0.04
     4  45    -0.00  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.08
     5   7     0.12  -0.03  -0.11    -0.10  -0.05   0.03     0.06  -0.08  -0.04
     6   7    -0.06  -0.01   0.02    -0.08   0.12  -0.10     0.03   0.12  -0.06
     7   6    -0.07   0.01  -0.01    -0.08   0.01   0.01     0.01  -0.02  -0.04
     8   6    -0.08  -0.07  -0.00     0.02   0.02   0.01     0.01  -0.02  -0.04
     9   7    -0.05  -0.10   0.03    -0.03   0.10  -0.10    -0.09   0.08  -0.06
    10   7     0.01   0.07   0.07     0.13   0.07   0.08     0.00  -0.11  -0.04
    11   6    -0.02   0.01  -0.01     0.10  -0.03  -0.00     0.03   0.01  -0.04
    12   6    -0.05   0.09  -0.01     0.01  -0.02  -0.00     0.02   0.01  -0.04
    13   7     0.03   0.13   0.07     0.08   0.02   0.08    -0.10  -0.03  -0.04
    14   1    -0.07  -0.06   0.02     0.03  -0.05   0.09    -0.01  -0.12  -0.03
    15   1    -0.09  -0.10  -0.05     0.14   0.05   0.01     0.12   0.02  -0.03
    16   1    -0.08   0.03  -0.06    -0.03  -0.05   0.07     0.09  -0.09  -0.03
    17   1    -0.04   0.04   0.04    -0.20  -0.03   0.03    -0.10  -0.06  -0.04
    18   1    -0.07  -0.02  -0.08     0.04  -0.06  -0.02     0.12   0.04  -0.04
    19   1     0.04  -0.06   0.01     0.18  -0.09  -0.04    -0.04   0.07  -0.04
    20   1    -0.06   0.05  -0.03    -0.03  -0.09  -0.08     0.03   0.11  -0.04
    21   1    -0.10   0.16  -0.04    -0.09   0.04   0.02     0.09  -0.05  -0.03
    22   1    -0.06  -0.03   0.06     0.05  -0.09  -0.05    -0.09   0.07  -0.05
    23   1    -0.01  -0.21   0.02     0.04  -0.03   0.04    -0.04  -0.08  -0.04
    24   1    -0.07   0.02   0.08    -0.03  -0.07   0.02    -0.11  -0.04  -0.04
    25   1     0.04   0.17   0.01    -0.08  -0.12  -0.04    -0.02   0.07  -0.04
    26   1     0.09  -0.07  -0.29    -0.08  -0.04   0.10     0.03  -0.11  -0.16
    27   1     0.30  -0.07  -0.09    -0.16  -0.03   0.02     0.17  -0.16  -0.02
    28   1     0.12  -0.01  -0.29    -0.01  -0.09   0.08     0.08   0.08  -0.17
    29   1     0.32  -0.09  -0.09    -0.06  -0.07   0.02     0.23   0.07  -0.02
    30   1     0.03   0.10   0.20     0.10  -0.02   0.21    -0.12   0.01  -0.19
    31   1     0.11   0.23   0.06     0.17   0.13   0.07    -0.24  -0.10  -0.02
    32   1    -0.02   0.07   0.18     0.10   0.07   0.23     0.05  -0.12  -0.18
    33   1     0.09   0.14   0.06     0.22   0.18   0.07    -0.05  -0.25  -0.02
    34   1    -0.08  -0.01   0.05    -0.04   0.10  -0.26     0.08   0.11  -0.22
    35   1    -0.05  -0.03   0.02    -0.14   0.27  -0.08     0.03   0.29  -0.03
    36   1    -0.05  -0.09   0.08    -0.06   0.07  -0.25    -0.13   0.04  -0.22
    37   1    -0.04  -0.14   0.02    -0.08   0.25  -0.08    -0.20   0.22  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    251.8832               289.5113               290.1385
 Red. masses --      4.9302                 2.0243                 2.0434
 Frc consts  --      0.1843                 0.1000                 0.1013
 IR Inten    --      0.0006                 1.4305                 1.5222
 RamAct Fr= 1--     16.8225                 0.8045                 0.8259
  Dep-P Fr= 1--      0.0634                 0.7473                 0.7495
  Dep-U Fr= 1--      0.1193                 0.8554                 0.8568
 Alpha2 Fr= 1--      0.3218                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3346                 0.1147                 0.1179
 AlphaG Fr= 1--      0.1591                -0.0000                -0.0000
 Gamma2 Fr= 1--      4.2630                 0.3056                 0.2858
 Delta2 Fr= 1--      0.4840                -0.1659                -0.1702
 Raman1 Fr= 1--      67.290                  3.218                  3.304
 ROA1   Fr= 1--     424.736                 24.029                 21.992
 CID1   Fr= 1--       6.312                  7.467                  6.657
 Raman2 Fr= 1--       4.015                  1.376                  1.415
 ROA2   Fr= 1--      98.441                  8.661                  8.222
 CID2   Fr= 1--      24.521                  6.293                  5.809
 Raman3 Fr= 1--       8.029                  2.753                  2.831
 ROA3   Fr= 1--     424.736                 24.029                 21.992
 CID3   Fr= 1--      52.899                  8.729                  7.769
 RC180  Fr= 1--      -0.761                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.18   0.00     0.06  -0.07  -0.00    -0.05   0.09   0.01
     2   6     0.03   0.18  -0.00    -0.07  -0.07   0.01     0.08   0.04  -0.00
     3   7    -0.04   0.14  -0.02     0.04  -0.03  -0.03    -0.05  -0.01  -0.01
     4  45    -0.00  -0.00  -0.00    -0.02   0.03  -0.00    -0.03  -0.02   0.00
     5   7     0.08   0.12   0.02    -0.04   0.03  -0.01     0.05   0.01  -0.03
     6   7    -0.15   0.01   0.02     0.03  -0.01   0.03     0.01  -0.06   0.00
     7   6    -0.18  -0.05   0.00     0.04   0.03  -0.01     0.05   0.12  -0.01
     8   6    -0.17  -0.07  -0.00     0.02  -0.03  -0.00     0.12  -0.05   0.01
     9   7    -0.11  -0.10  -0.02    -0.03   0.01   0.02    -0.02   0.06  -0.02
    10   7     0.14  -0.04  -0.02     0.04   0.06   0.01     0.03  -0.01   0.03
    11   6     0.14  -0.11  -0.00     0.00  -0.13  -0.01     0.02  -0.03  -0.01
    12   6     0.13  -0.13   0.00     0.13   0.01   0.01     0.02   0.02  -0.00
    13   7     0.06  -0.13   0.02    -0.04  -0.05  -0.02    -0.03   0.00   0.03
    14   1    -0.15  -0.01   0.02     0.01  -0.10   0.01     0.11  -0.26   0.13
    15   1    -0.20  -0.08  -0.01     0.08  -0.03  -0.04     0.33  -0.06  -0.11
    16   1    -0.12  -0.08  -0.02     0.01   0.08  -0.06    -0.09   0.27  -0.11
    17   1    -0.21  -0.06   0.01     0.09   0.08   0.03     0.21   0.25   0.12
    18   1     0.08  -0.13   0.02    -0.19  -0.22  -0.12    -0.00  -0.06  -0.05
    19   1     0.17  -0.14  -0.01     0.10  -0.31   0.12     0.05  -0.08   0.02
    20   1     0.13  -0.07  -0.02     0.20   0.20   0.13     0.03   0.07  -0.00
    21   1     0.16  -0.15   0.01     0.32  -0.07  -0.11     0.05   0.01  -0.03
    22   1     0.06   0.13   0.02    -0.19   0.01   0.10     0.21  -0.06  -0.07
    23   1     0.03   0.22  -0.01    -0.15  -0.19  -0.07     0.16   0.17   0.09
    24   1    -0.00   0.15  -0.02     0.21  -0.03  -0.07    -0.19   0.07   0.11
    25   1     0.06   0.21   0.01     0.08  -0.20   0.08    -0.07   0.24  -0.08
    26   1     0.08   0.11   0.00    -0.01   0.10   0.05     0.01  -0.04  -0.15
    27   1     0.10   0.11   0.02    -0.10   0.04  -0.02     0.16  -0.01  -0.02
    28   1    -0.03   0.13   0.01     0.02   0.02  -0.14    -0.05  -0.09   0.06
    29   1    -0.06   0.14  -0.02     0.14  -0.06  -0.02    -0.12   0.00  -0.02
    30   1     0.05  -0.12  -0.00    -0.08   0.03  -0.16    -0.06   0.03   0.04
    31   1     0.04  -0.15   0.02    -0.12  -0.15  -0.01    -0.03   0.01   0.03
    32   1     0.12  -0.03   0.01    -0.05   0.10   0.13     0.02  -0.02   0.09
    33   1     0.15  -0.02  -0.02     0.12   0.15  -0.00     0.07   0.03   0.02
    34   1    -0.13   0.01  -0.00     0.02   0.00   0.10    -0.09  -0.07   0.12
    35   1    -0.15   0.04   0.02     0.06  -0.07   0.02     0.05  -0.17  -0.01
    36   1    -0.09  -0.09   0.01    -0.08  -0.01   0.02    -0.09   0.01  -0.16
    37   1    -0.09  -0.12  -0.02    -0.04   0.02   0.02    -0.05   0.19  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    311.9051               332.0750               332.8181
 Red. masses --      1.7074                 3.3015                 3.3205
 Frc consts  --      0.0979                 0.2145                 0.2167
 IR Inten    --      0.0010                 6.6984                 6.7156
 RamAct Fr= 1--      2.7054                 2.3613                 2.3351
  Dep-P Fr= 1--      0.3618                 0.7495                 0.7499
  Dep-U Fr= 1--      0.5314                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0228                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2396                 0.3372                 0.3336
 AlphaG Fr= 1--     -0.0408                -0.0000                -0.0000
 Gamma2 Fr= 1--     -2.9048                -2.7925                -2.8171
 Delta2 Fr= 1--     -0.2759                -0.1486                -0.1520
 Raman1 Fr= 1--      10.822                  9.445                  9.340
 ROA1   Fr= 1--    -287.687               -272.836               -275.309
 CID1   Fr= 1--     -26.585                -28.886                -29.475
 Raman2 Fr= 1--       2.875                  4.047                  4.003
 ROA2   Fr= 1--     -67.507                -65.831                -66.395
 CID2   Fr= 1--     -23.480                -16.269                -16.588
 Raman3 Fr= 1--       5.750                  8.093                  8.005
 ROA3   Fr= 1--    -287.687               -272.836               -275.309
 CID3   Fr= 1--     -50.031                -33.712                -34.391
 RC180  Fr= 1--       0.063                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.00    -0.05  -0.05   0.01    -0.08  -0.06  -0.00
     2   6     0.07   0.00  -0.00     0.02   0.01   0.01     0.06  -0.11  -0.00
     3   7    -0.05  -0.03   0.05     0.00   0.02   0.09    -0.03  -0.11   0.05
     4  45     0.00  -0.00  -0.00     0.09   0.01   0.00    -0.01   0.09  -0.00
     5   7     0.03  -0.05  -0.05    -0.01  -0.08   0.04    -0.01  -0.08  -0.10
     6   7     0.02   0.05  -0.05    -0.10  -0.04   0.06     0.03   0.01   0.09
     7   6     0.01  -0.06   0.00    -0.12   0.05  -0.00     0.02   0.01   0.01
     8   6    -0.03   0.06  -0.00    -0.05  -0.10  -0.00    -0.05  -0.04   0.01
     9   7     0.05  -0.03   0.05    -0.08  -0.02  -0.09    -0.07  -0.02   0.05
    10   7    -0.00   0.06   0.05    -0.08   0.07   0.00     0.03  -0.03  -0.11
    11   6    -0.03  -0.06  -0.00    -0.11   0.01  -0.01     0.06   0.01  -0.00
    12   6     0.05   0.04   0.00     0.00   0.05  -0.01     0.03  -0.11  -0.01
    13   7    -0.06  -0.00  -0.05    -0.02   0.02  -0.10     0.09  -0.07   0.01
    14   1    -0.03   0.18  -0.09    -0.03  -0.19   0.13    -0.06  -0.07  -0.01
    15   1    -0.17   0.06   0.07     0.09  -0.11  -0.09    -0.04  -0.05  -0.01
    16   1     0.09  -0.16   0.09    -0.17   0.13  -0.11     0.03   0.03  -0.06
    17   1    -0.10  -0.15  -0.08    -0.02   0.13   0.09     0.05   0.03   0.03
    18   1    -0.15  -0.12  -0.10    -0.17  -0.02  -0.05     0.11   0.07   0.12
    19   1     0.04  -0.18   0.08    -0.08  -0.06   0.05     0.01   0.11  -0.07
    20   1     0.10   0.16   0.10     0.05   0.09   0.11    -0.00  -0.18  -0.06
    21   1     0.18  -0.01  -0.08     0.10   0.02  -0.07    -0.06  -0.09   0.06
    22   1     0.18  -0.07  -0.10     0.05   0.02  -0.08     0.15  -0.15  -0.11
    23   1     0.14   0.13   0.08     0.05   0.07   0.04     0.13  -0.01   0.09
    24   1    -0.20   0.01   0.10    -0.09  -0.07   0.00    -0.18  -0.05   0.13
    25   1    -0.08   0.17  -0.08    -0.06  -0.03  -0.02    -0.11   0.08  -0.09
    26   1    -0.00  -0.11  -0.17    -0.02  -0.13   0.09    -0.05  -0.12  -0.29
    27   1     0.17  -0.06  -0.03    -0.06  -0.07   0.04     0.18  -0.15  -0.07
    28   1    -0.04  -0.10   0.17     0.03   0.03   0.24    -0.02  -0.18   0.18
    29   1    -0.17   0.00   0.03    -0.16   0.03   0.07    -0.17  -0.10   0.04
    30   1    -0.09   0.06  -0.17    -0.02   0.05  -0.29     0.12  -0.12   0.06
    31   1    -0.14  -0.11  -0.03    -0.17  -0.11  -0.08     0.13  -0.03   0.00
    32   1    -0.07   0.08   0.17    -0.13   0.11   0.03     0.06  -0.02  -0.30
    33   1     0.09   0.15   0.04    -0.06   0.11  -0.00    -0.09  -0.20  -0.08
    34   1     0.09   0.05  -0.17    -0.18  -0.04   0.20     0.04   0.03   0.22
    35   1    -0.03   0.17  -0.03    -0.07  -0.19   0.04     0.06  -0.13   0.07
    36   1     0.10   0.02   0.17    -0.13  -0.07  -0.28    -0.11  -0.03   0.13
    37   1     0.08  -0.15   0.03    -0.18   0.16  -0.07    -0.04  -0.09   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3115               403.0990               403.5553
 Red. masses --      4.0000                 4.4349                 4.1794
 Frc consts  --      0.3814                 0.4246                 0.4010
 IR Inten    --      0.4422                 0.3988                 0.3922
 RamAct Fr= 1--      3.3444                 2.1263                 2.8041
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4778                 0.3036                 0.4006
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.8124                 0.5248                 0.6972
 Delta2 Fr= 1--      0.2371                 0.1476                 0.1966
 Raman1 Fr= 1--      13.378                  8.505                 11.217
 ROA1   Fr= 1--      85.580                 55.100                 73.224
 CID1   Fr= 1--       6.397                  6.478                  6.528
 Raman2 Fr= 1--       5.733                  3.643                  4.807
 ROA2   Fr= 1--      17.601                 11.414                 15.161
 CID2   Fr= 1--       3.070                  3.133                  3.154
 Raman3 Fr= 1--      11.466                  7.286                  9.614
 ROA3   Fr= 1--      85.580                 55.100                 73.224
 CID3   Fr= 1--       7.464                  7.562                  7.617
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.07  -0.04     0.01   0.10  -0.08    -0.00  -0.05   0.04
     2   6    -0.01  -0.03  -0.04    -0.04  -0.12  -0.08     0.02   0.05   0.04
     3   7    -0.04  -0.05  -0.02    -0.14  -0.17  -0.11     0.05   0.06   0.03
     4  45     0.00  -0.07   0.04     0.05   0.03   0.07    -0.06   0.02   0.06
     5   7    -0.04   0.12  -0.07    -0.05   0.18  -0.09     0.02  -0.08   0.03
     6   7     0.08   0.08   0.05    -0.10  -0.11  -0.08    -0.10  -0.11  -0.07
     7   6     0.06   0.03   0.05    -0.07  -0.04  -0.05    -0.08  -0.03  -0.07
     8   6    -0.06  -0.01   0.05     0.05   0.02  -0.05     0.11   0.02  -0.07
     9   7    -0.09   0.01   0.04     0.10  -0.02  -0.04     0.19  -0.03  -0.10
    10   7    -0.07   0.19  -0.10     0.01  -0.02   0.01    -0.04   0.11  -0.05
    11   6    -0.08   0.09  -0.07     0.01  -0.02   0.02    -0.04   0.04  -0.05
    12   6     0.07  -0.06  -0.07    -0.03   0.02   0.02     0.08  -0.05  -0.05
    13   7     0.16  -0.04  -0.07    -0.04   0.01   0.02     0.16  -0.04  -0.08
    14   1    -0.09  -0.00  -0.04     0.09   0.05   0.04     0.17   0.07   0.09
    15   1    -0.09   0.00   0.09     0.05   0.01  -0.07     0.14   0.00  -0.12
    16   1     0.09   0.05  -0.05    -0.14  -0.03   0.06    -0.14  -0.04   0.06
    17   1     0.08   0.06   0.09    -0.08  -0.05  -0.08    -0.09  -0.06  -0.11
    18   1    -0.15   0.13   0.09    -0.00  -0.04  -0.02    -0.09   0.06   0.04
    19   1    -0.08   0.13  -0.13     0.02  -0.04   0.05    -0.04   0.06  -0.09
    20   1     0.12  -0.11   0.07    -0.05   0.00  -0.02     0.11  -0.11   0.07
    21   1     0.11  -0.05  -0.12    -0.06   0.02   0.05     0.10  -0.05  -0.09
    22   1    -0.00  -0.06   0.02    -0.03  -0.21   0.10     0.04   0.06  -0.04
    23   1    -0.02  -0.04  -0.06    -0.07  -0.13  -0.14     0.04   0.07   0.08
    24   1     0.03   0.11   0.06     0.05   0.17   0.08     0.01  -0.08  -0.04
    25   1    -0.01   0.08  -0.06    -0.01   0.13  -0.13     0.01  -0.08   0.08
    26   1    -0.02   0.16  -0.07    -0.03   0.21   0.01     0.00  -0.04  -0.19
    27   1    -0.04   0.14  -0.07    -0.15   0.17  -0.09     0.20  -0.19   0.06
    28   1    -0.04  -0.06   0.01    -0.14  -0.23  -0.04     0.01   0.02  -0.19
    29   1    -0.06  -0.00  -0.02    -0.23  -0.17  -0.12     0.26   0.09   0.06
    30   1     0.15  -0.06   0.06     0.01   0.00  -0.18     0.19  -0.08  -0.06
    31   1     0.23   0.06  -0.08    -0.22  -0.07   0.05     0.20  -0.02  -0.09
    32   1    -0.11   0.20   0.01    -0.01   0.03  -0.20    -0.06   0.11  -0.00
    33   1    -0.02   0.30  -0.12    -0.06  -0.20   0.03     0.02   0.11  -0.05
    34   1     0.06   0.05  -0.16    -0.16  -0.13  -0.10    -0.13  -0.10   0.02
    35   1     0.09   0.29   0.08    -0.10  -0.10  -0.08    -0.05  -0.18  -0.07
    36   1    -0.05  -0.00  -0.18     0.13  -0.01  -0.04     0.24  -0.00  -0.03
    37   1    -0.21   0.18   0.07     0.05  -0.04  -0.04     0.24  -0.10  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    462.0651               462.7682               505.7485
 Red. masses --      4.0278                 4.0376                 4.5179
 Frc consts  --      0.5067                 0.5094                 0.6809
 IR Inten    --      7.5279                 7.5500                 0.0010
 RamAct Fr= 1--      5.6485                 5.6537                47.2096
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0016
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0032
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.0452
 Beta2  Fr= 1--      0.8069                 0.8077                 0.0250
 AlphaG Fr= 1--     -0.0000                 0.0000                -1.0184
 Gamma2 Fr= 1--      2.0893                 2.0924                -1.0716
 Delta2 Fr= 1--     -0.0422                -0.0505                 0.1218
 Raman1 Fr= 1--      22.594                 22.615                188.838
 ROA1   Fr= 1--     199.221                199.252                -98.975
 CID1   Fr= 1--       8.817                  8.811                 -0.524
 Raman2 Fr= 1--       9.683                  9.692                  0.300
 ROA2   Fr= 1--      50.480                 50.621                -26.692
 CID2   Fr= 1--       5.213                  5.223                -88.834
 Raman3 Fr= 1--      19.366                 19.384                  0.601
 ROA3   Fr= 1--     199.221                199.252                -98.975
 CID3   Fr= 1--      10.287                 10.279               -164.701
 RC180  Fr= 1--       0.714                  0.714                 -0.994
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.03  -0.03   0.00     0.02   0.01   0.01
     2   6    -0.01   0.04   0.01     0.03  -0.01   0.01    -0.02   0.02  -0.01
     3   7    -0.05  -0.01  -0.09     0.16   0.08   0.18    -0.13  -0.06  -0.15
     4  45     0.03   0.01   0.00     0.01  -0.03   0.00     0.00  -0.00  -0.00
     5   7     0.08  -0.11   0.12    -0.09   0.08  -0.16     0.10  -0.11   0.15
     6   7    -0.05  -0.17  -0.20    -0.03  -0.05  -0.03     0.05   0.14   0.15
     7   6     0.03  -0.03  -0.01    -0.02  -0.01  -0.02    -0.02   0.01   0.01
     8   6     0.01   0.04   0.01     0.03   0.01  -0.02    -0.01  -0.02  -0.01
     9   7    -0.14   0.11   0.20     0.04  -0.01  -0.01     0.12  -0.08  -0.15
    10   7    -0.00   0.13  -0.11     0.02   0.13  -0.17     0.01   0.14  -0.15
    11   6     0.00   0.02  -0.02     0.04   0.00   0.00     0.02   0.01  -0.01
    12   6     0.02  -0.03  -0.01    -0.02  -0.03   0.01    -0.00  -0.03   0.01
    13   7    -0.03  -0.02   0.07    -0.18  -0.04   0.19    -0.14  -0.03   0.15
    14   1    -0.06  -0.10  -0.10     0.04   0.01   0.01     0.05   0.09   0.07
    15   1     0.04   0.06   0.03     0.03  -0.00  -0.04    -0.04  -0.04  -0.02
    16   1    -0.11   0.04   0.10    -0.04  -0.01   0.02     0.10  -0.05  -0.07
    17   1     0.07  -0.02  -0.03    -0.01  -0.02  -0.04    -0.07  -0.00   0.01
    18   1    -0.08   0.03   0.06    -0.09  -0.01   0.08    -0.11   0.00   0.07
    19   1     0.03   0.02  -0.04     0.07  -0.02  -0.01     0.06  -0.02  -0.02
    20   1     0.02   0.03  -0.03    -0.03   0.12  -0.10    -0.01   0.11  -0.07
    21   1     0.03  -0.04  -0.02     0.00  -0.06   0.04     0.04  -0.06   0.01
    22   1     0.04  -0.02   0.04    -0.04   0.11  -0.09     0.06  -0.09   0.07
    23   1    -0.00   0.06   0.02     0.03  -0.05   0.04    -0.01   0.06  -0.02
    24   1    -0.05  -0.08  -0.07     0.07   0.04   0.08    -0.09  -0.06  -0.07
    25   1     0.04   0.00   0.05    -0.04  -0.05  -0.01     0.03   0.06   0.01
    26   1     0.08  -0.16   0.19    -0.09   0.11  -0.25     0.10  -0.12   0.19
    27   1     0.01  -0.11   0.12     0.02   0.13  -0.16     0.01  -0.13   0.15
    28   1    -0.06  -0.01  -0.15     0.18   0.13   0.29    -0.14  -0.07  -0.19
    29   1    -0.00  -0.08  -0.09     0.05   0.14   0.17    -0.07  -0.12  -0.15
    30   1    -0.03  -0.03   0.12    -0.23  -0.00   0.30    -0.15  -0.03   0.20
    31   1    -0.04   0.05   0.08    -0.14   0.09   0.18    -0.12   0.06   0.15
    32   1    -0.03   0.16  -0.17     0.00   0.16  -0.27     0.00   0.15  -0.18
    33   1    -0.05   0.09  -0.10    -0.10   0.10  -0.17    -0.07   0.12  -0.15
    34   1    -0.09  -0.19  -0.32    -0.06  -0.06  -0.04     0.06   0.15   0.20
    35   1    -0.15  -0.07  -0.19    -0.02  -0.03  -0.02     0.11   0.08   0.15
    36   1    -0.20   0.10   0.32     0.07  -0.00  -0.01     0.13  -0.08  -0.18
    37   1    -0.17  -0.04   0.20     0.02  -0.02  -0.01     0.14  -0.00  -0.15
                     22                     23                     24
                      A                      A                      A
 Frequencies --    523.1981               558.3983               559.2010
 Red. masses --      1.5617                 1.8402                 1.8425
 Frc consts  --      0.2519                 0.3381                 0.3395
 IR Inten    --      3.2686                 3.4648                 3.3960
 RamAct Fr= 1--      0.0129                 0.3100                 0.3262
  Dep-P Fr= 1--      0.0102                 0.7467                 0.7381
  Dep-U Fr= 1--      0.0203                 0.8550                 0.8493
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0000                 0.0442                 0.0462
 AlphaG Fr= 1--     -0.0002                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0002                -0.6704                -0.6604
 Delta2 Fr= 1--      0.0000                -0.1709                -0.1722
 Raman1 Fr= 1--       0.052                  1.240                  1.305
 ROA1   Fr= 1--      -0.020                -69.833                -68.907
 CID1   Fr= 1--      -0.380                -56.313                -52.816
 Raman2 Fr= 1--       0.001                  0.530                  0.554
 ROA2   Fr= 1--      -0.005                -14.723                -14.472
 CID2   Fr= 1--     -10.221                -27.774                -26.122
 Raman3 Fr= 1--       0.001                  1.060                  1.108
 ROA3   Fr= 1--      -0.020                -69.833                -68.907
 CID3   Fr= 1--     -18.769                -65.867                -62.188
 RC180  Fr= 1--      -0.959                  0.710                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.05    -0.00  -0.01   0.02     0.02   0.06  -0.07
     2   6    -0.01  -0.05  -0.05    -0.00   0.03   0.02    -0.00  -0.06  -0.07
     3   7     0.04  -0.02   0.03    -0.03   0.00  -0.02     0.07  -0.00   0.07
     4  45     0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.03  -0.00   0.00
     5   7     0.04   0.00   0.04    -0.02   0.01  -0.02     0.07  -0.03   0.08
     6   7    -0.02   0.03   0.03    -0.01   0.07   0.08     0.01  -0.02  -0.02
     7   6    -0.05  -0.02  -0.05    -0.06  -0.01  -0.07     0.02   0.00   0.01
     8   6     0.05   0.02  -0.05     0.06   0.03  -0.07    -0.01  -0.00   0.01
     9   7    -0.01   0.04   0.04    -0.03   0.06   0.08     0.01  -0.01  -0.01
    10   7    -0.03  -0.03   0.04     0.02   0.04  -0.05     0.03   0.05  -0.06
    11   6    -0.04   0.03  -0.05     0.03  -0.02   0.05     0.05  -0.03   0.05
    12   6     0.04  -0.03  -0.05    -0.03   0.04   0.05    -0.03   0.03   0.05
    13   7    -0.02  -0.04   0.03     0.04   0.03  -0.05     0.04   0.03  -0.06
    14   1     0.05  -0.13   0.07     0.05  -0.23   0.11    -0.01   0.05  -0.03
    15   1     0.19   0.00  -0.15     0.30   0.01  -0.23    -0.05   0.01   0.05
    16   1     0.04  -0.13   0.07     0.10  -0.21   0.11    -0.01   0.04  -0.02
    17   1    -0.15  -0.11  -0.15    -0.24  -0.18  -0.24     0.06   0.03   0.04
    18   1     0.09   0.11   0.07    -0.12  -0.11  -0.08    -0.13  -0.12  -0.08
    19   1    -0.10   0.16  -0.15     0.10  -0.17   0.16     0.13  -0.19   0.17
    20   1     0.10   0.10   0.07    -0.10  -0.13  -0.07    -0.10  -0.15  -0.09
    21   1     0.18  -0.08  -0.15    -0.19   0.09   0.16    -0.20   0.09   0.18
    22   1    -0.14   0.02   0.07     0.07  -0.02  -0.03    -0.22   0.07   0.11
    23   1    -0.09  -0.17  -0.14     0.04   0.09   0.07    -0.14  -0.25  -0.23
    24   1    -0.14   0.03   0.07     0.08  -0.00  -0.04    -0.23   0.02   0.11
    25   1    -0.02   0.19  -0.14     0.02  -0.09   0.08    -0.03   0.29  -0.23
    26   1     0.05  -0.04   0.22    -0.02   0.01  -0.09     0.09  -0.02   0.23
    27   1    -0.14   0.03   0.02     0.06   0.01  -0.02    -0.12  -0.05   0.07
    28   1     0.07   0.01   0.22    -0.03   0.01  -0.06     0.09  -0.01   0.23
    29   1    -0.14   0.03   0.02     0.01  -0.03  -0.02    -0.10   0.09   0.06
    30   1    -0.06  -0.03   0.22     0.04   0.05  -0.15     0.05   0.04  -0.19
    31   1     0.10   0.11   0.01    -0.01  -0.08  -0.05    -0.03  -0.11  -0.05
    32   1    -0.02  -0.07   0.23     0.03   0.05  -0.17     0.05   0.05  -0.17
    33   1     0.10   0.11   0.02    -0.10  -0.04  -0.04    -0.09  -0.02  -0.05
    34   1     0.01   0.07   0.22    -0.02   0.09   0.24     0.01  -0.02  -0.04
    35   1     0.05  -0.14   0.02     0.11  -0.09   0.07    -0.02  -0.00  -0.02
    36   1    -0.05   0.05   0.22    -0.03   0.09   0.23     0.01  -0.01  -0.06
    37   1     0.04  -0.14   0.02    -0.03  -0.13   0.07    -0.00   0.05  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    676.1695               676.4235               713.9514
 Red. masses --      1.2961                 1.2962                 1.2647
 Frc consts  --      0.3491                 0.3494                 0.3798
 IR Inten    --      0.1365                 0.1366                 0.0008
 RamAct Fr= 1--      0.0839                 0.0828                 2.4421
  Dep-P Fr= 1--      0.7469                 0.7492                 0.1123
  Dep-U Fr= 1--      0.8551                 0.8566                 0.2020
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0415
 Beta2  Fr= 1--      0.0120                 0.0118                 0.0822
 AlphaG Fr= 1--      0.0000                 0.0000                 0.2620
 Gamma2 Fr= 1--     -0.2278                -0.2170                -2.4693
 Delta2 Fr= 1--      0.0727                 0.0711                -0.1817
 Raman1 Fr= 1--       0.336                  0.331                  9.769
 ROA1   Fr= 1--     -19.539                -18.553               -242.864
 CID1   Fr= 1--     -58.212                -56.019                -24.862
 Raman2 Fr= 1--       0.144                  0.142                  0.986
 ROA2   Fr= 1--      -6.048                 -5.776                -57.809
 CID2   Fr= 1--     -42.141                -40.720                -58.605
 Raman3 Fr= 1--       0.287                  0.284                  1.973
 ROA3   Fr= 1--     -19.539                -18.553               -242.864
 CID3   Fr= 1--     -68.076                -65.396               -123.103
 RC180  Fr= 1--       0.710                  0.713                 -0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.01
     2   6    -0.00  -0.01  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.01
     3   7    -0.03  -0.01   0.05    -0.03   0.01   0.05    -0.04   0.00   0.05
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.01   0.00     0.04  -0.02  -0.07     0.03  -0.01  -0.04
     6   7     0.00   0.04  -0.06     0.01  -0.02   0.03    -0.00   0.03  -0.04
     7   6     0.01   0.01   0.01    -0.01  -0.00   0.02     0.00   0.01  -0.01
     8   6     0.00   0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00   0.01
     9   7    -0.00  -0.01   0.02    -0.03   0.04  -0.07     0.02  -0.03   0.04
    10   7    -0.02  -0.04  -0.07    -0.00   0.02   0.02     0.02   0.03   0.04
    11   6     0.01  -0.01  -0.01    -0.00   0.01  -0.02     0.00   0.01   0.01
    12   6     0.01  -0.01   0.01     0.01  -0.00  -0.02    -0.01   0.00  -0.01
    13   7     0.03   0.03   0.06     0.03   0.01   0.04    -0.03  -0.02  -0.05
    14   1    -0.01   0.03  -0.04    -0.01  -0.07   0.05     0.00   0.06  -0.04
    15   1    -0.06   0.00   0.05     0.08   0.02  -0.00    -0.08  -0.02   0.03
    16   1     0.05  -0.03   0.04    -0.02   0.04  -0.05     0.04  -0.05   0.04
    17   1    -0.06  -0.02   0.01     0.06   0.04   0.05    -0.08  -0.03  -0.03
    18   1     0.07   0.03   0.06    -0.01   0.01   0.01    -0.06  -0.03  -0.04
    19   1    -0.06   0.07  -0.03     0.00   0.02  -0.04     0.06  -0.07   0.03
    20   1    -0.02  -0.06  -0.06     0.01  -0.03  -0.01     0.02   0.06   0.04
    21   1    -0.08   0.05   0.03    -0.01   0.02  -0.03     0.07  -0.05  -0.02
    22   1     0.02  -0.03  -0.03     0.05  -0.03  -0.05     0.05  -0.04  -0.04
    23   1     0.00   0.04  -0.02     0.03   0.08   0.04     0.02   0.09   0.03
    24   1    -0.02   0.01   0.02    -0.07  -0.02   0.06    -0.06  -0.01   0.04
    25   1    -0.01   0.03  -0.05     0.01   0.09  -0.02     0.01   0.09  -0.03
    26   1     0.00   0.02  -0.02     0.07  -0.12   0.34     0.06  -0.06   0.25
    27   1     0.00  -0.04   0.01    -0.29   0.25  -0.13    -0.23   0.15  -0.09
    28   1    -0.08  -0.07  -0.25    -0.08  -0.05  -0.24    -0.08  -0.03  -0.25
    29   1     0.26   0.11   0.10     0.25   0.07   0.09     0.27   0.05   0.09
    30   1     0.11   0.01  -0.29     0.08  -0.01  -0.19    -0.08  -0.02   0.25
    31   1    -0.29  -0.11   0.11    -0.22  -0.05   0.08     0.24   0.12  -0.09
    32   1     0.01  -0.13   0.33    -0.01   0.04  -0.09     0.01   0.08  -0.25
    33   1     0.08   0.36  -0.13     0.01  -0.11   0.04    -0.09  -0.25   0.09
    34   1     0.06   0.11   0.31    -0.02  -0.05  -0.16     0.02   0.08   0.24
    35   1    -0.08  -0.34  -0.12     0.01   0.17   0.06    -0.02  -0.26  -0.09
    36   1     0.02  -0.02  -0.09    -0.12   0.05   0.34     0.07  -0.05  -0.24
    37   1    -0.05   0.08   0.03     0.29  -0.24  -0.13    -0.18   0.20   0.09
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.4186               750.5760               762.8613
 Red. masses --      1.3993                 1.4003                 1.4761
 Frc consts  --      0.4643                 0.4648                 0.5061
 IR Inten    --      5.4075                 5.3568                17.8416
 RamAct Fr= 1--      0.5820                 0.5797                 0.0004
  Dep-P Fr= 1--      0.7499                 0.7498                 0.5920
  Dep-U Fr= 1--      0.8571                 0.8570                 0.7437
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0831                 0.0828                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      2.2674                 2.2591                 0.0016
 Delta2 Fr= 1--      0.0297                 0.0308                -0.0001
 Raman1 Fr= 1--       2.328                  2.319                  0.002
 ROA1   Fr= 1--     218.619                217.864                  0.152
 CID1   Fr= 1--      93.910                 93.952                 88.404
 Raman2 Fr= 1--       0.998                  0.994                  0.001
 ROA2   Fr= 1--      54.180                 53.973                  0.039
 CID2   Fr= 1--      54.309                 54.318                 61.027
 Raman3 Fr= 1--       1.995                  1.987                  0.001
 ROA3   Fr= 1--     218.619                217.864                  0.152
 CID3   Fr= 1--     109.568                109.628                118.866
 RC180  Fr= 1--       0.714                  0.714                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.01  -0.00  -0.02    -0.03  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.02  -0.01    -0.02   0.02   0.02
     3   7    -0.02  -0.01   0.04    -0.05  -0.01   0.05     0.03  -0.01  -0.06
     4  45     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.00   0.02
     5   7    -0.04   0.04   0.07     0.00   0.01   0.01     0.03  -0.00  -0.06
     6   7     0.01   0.03  -0.04    -0.00  -0.05   0.06    -0.02   0.03  -0.06
     7   6     0.01  -0.00   0.03    -0.02  -0.01  -0.01     0.02  -0.02   0.02
     8   6    -0.02  -0.01   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.02
     9   7    -0.04   0.04  -0.07     0.01   0.01   0.01    -0.00   0.03  -0.05
    10   7     0.01   0.03   0.02    -0.01  -0.05  -0.06    -0.02  -0.02  -0.06
    11   6    -0.01   0.01   0.01     0.02  -0.01   0.03     0.03   0.01   0.02
    12   6    -0.01   0.01  -0.00    -0.01   0.02   0.03     0.00   0.03   0.02
    13   7    -0.02  -0.02  -0.03    -0.05  -0.01  -0.06    -0.02  -0.03  -0.06
    14   1    -0.04  -0.03  -0.01     0.01  -0.04   0.05    -0.02   0.05  -0.08
    15   1     0.01   0.04   0.10     0.06  -0.01  -0.08    -0.07   0.02   0.14
    16   1     0.01   0.03  -0.05    -0.06   0.02  -0.02    -0.02   0.05  -0.08
    17   1     0.02   0.05   0.12     0.05   0.00  -0.04     0.04   0.06   0.14
    18   1    -0.05  -0.02  -0.04     0.03  -0.03  -0.03    -0.03  -0.04  -0.07
    19   1     0.04  -0.05   0.02    -0.02  -0.03   0.12     0.01  -0.07   0.15
    20   1     0.01   0.05   0.04    -0.03   0.02  -0.03    -0.04  -0.04  -0.08
    21   1     0.05  -0.03  -0.02    -0.03  -0.02   0.12    -0.07   0.01   0.15
    22   1    -0.03  -0.02   0.05     0.03  -0.05  -0.02     0.06  -0.01  -0.08
    23   1    -0.04  -0.03  -0.11    -0.00   0.05  -0.05     0.06   0.05   0.15
    24   1     0.03   0.04   0.01    -0.04   0.00   0.05     0.05  -0.01  -0.08
    25   1    -0.03  -0.02  -0.09    -0.02   0.06  -0.08     0.03  -0.06   0.15
    26   1    -0.08   0.11  -0.32     0.01   0.03  -0.02     0.04  -0.11   0.22
    27   1     0.27  -0.26   0.14     0.02  -0.05   0.02    -0.18   0.18  -0.10
    28   1    -0.06  -0.06  -0.16    -0.10  -0.05  -0.27     0.08   0.09   0.21
    29   1     0.20   0.10   0.08     0.30   0.11   0.11    -0.22  -0.10  -0.10
    30   1    -0.05  -0.03   0.16    -0.12   0.00   0.28    -0.11   0.02   0.21
    31   1     0.15   0.06  -0.06     0.34   0.08  -0.13     0.23   0.06  -0.10
    32   1     0.02   0.05  -0.15     0.02  -0.13   0.29     0.03  -0.11   0.22
    33   1    -0.04  -0.15   0.05     0.04   0.36  -0.13     0.03   0.25  -0.10
    34   1     0.06   0.07   0.18    -0.03  -0.10  -0.28     0.07   0.08   0.21
    35   1    -0.08  -0.22  -0.09     0.07   0.31   0.12    -0.06  -0.22  -0.10
    36   1    -0.12   0.06   0.33     0.03   0.01  -0.01    -0.11   0.02   0.20
    37   1     0.31  -0.24  -0.14    -0.04   0.00   0.02     0.18  -0.14  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    865.5689               865.6170               867.4004
 Red. masses --      3.2256                 3.2250                 3.1378
 Frc consts  --      1.4239                 1.4237                 1.3910
 IR Inten    --     10.9253                10.9127                 0.0045
 RamAct Fr= 1--      0.7830                 0.8057                 9.1509
  Dep-P Fr= 1--      0.7475                 0.7491                 0.0789
  Dep-U Fr= 1--      0.8555                 0.8566                 0.1463
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1687
 Beta2  Fr= 1--      0.1116                 0.1150                 0.2231
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0165
 Gamma2 Fr= 1--      0.9040                 0.8839                -2.1311
 Delta2 Fr= 1--      0.8636                 0.8621                -2.8228
 Raman1 Fr= 1--       3.132                  3.223                 36.604
 ROA1   Fr= 1--     114.422                112.445               -294.918
 CID1   Fr= 1--      36.534                 34.893                 -8.057
 Raman2 Fr= 1--       1.340                  1.380                  2.677
 ROA2   Fr= 1--      14.787                 14.318                -28.564
 CID2   Fr= 1--      11.037                 10.373                -10.671
 Raman3 Fr= 1--       2.679                  2.760                  5.354
 ROA3   Fr= 1--     114.422                112.445               -294.918
 CID3   Fr= 1--      42.703                 40.735                -55.086
 RC180  Fr= 1--       0.711                  0.713                 -0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.05     0.04   0.13  -0.12    -0.03  -0.11   0.09
     2   6    -0.02  -0.06  -0.06     0.00   0.15   0.11    -0.01  -0.11  -0.09
     3   7    -0.01   0.04  -0.01     0.04  -0.12   0.06    -0.03   0.09  -0.03
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7     0.05   0.06   0.04    -0.07  -0.09  -0.05     0.06   0.07   0.03
     6   7    -0.06   0.01   0.02    -0.12   0.02   0.06    -0.10   0.02   0.04
     7   6     0.08   0.02   0.08     0.13   0.01   0.10     0.11   0.02   0.09
     8   6     0.08   0.05  -0.06     0.12   0.05  -0.11     0.10   0.05  -0.09
     9   7    -0.06  -0.06  -0.04    -0.07  -0.07  -0.04    -0.07  -0.07  -0.03
    10   7    -0.13   0.03   0.06     0.03  -0.00  -0.01     0.09  -0.02  -0.03
    11   6     0.13  -0.09   0.13    -0.02  -0.00   0.00    -0.09   0.06  -0.09
    12   6     0.10  -0.13  -0.13    -0.01  -0.01   0.02    -0.07   0.08   0.08
    13   7    -0.05   0.13  -0.06     0.00   0.01  -0.01     0.04  -0.09   0.04
    14   1     0.03   0.03  -0.18     0.04   0.07  -0.36     0.04   0.07  -0.30
    15   1    -0.00   0.03  -0.05    -0.05   0.04  -0.03    -0.05   0.03  -0.03
    16   1     0.05  -0.02   0.25     0.06  -0.01   0.29     0.07  -0.03   0.28
    17   1    -0.01  -0.05   0.01     0.02  -0.04   0.07    -0.01  -0.05   0.04
    18   1     0.09  -0.01   0.41     0.01   0.01   0.02    -0.08   0.00  -0.29
    19   1     0.03   0.07   0.05    -0.02   0.02  -0.03    -0.00  -0.06  -0.03
    20   1     0.03  -0.08  -0.38     0.01   0.02   0.07    -0.01   0.07   0.27
    21   1    -0.05  -0.04  -0.07     0.03  -0.01  -0.02     0.05   0.02   0.04
    22   1     0.03  -0.04  -0.21    -0.02   0.07   0.33     0.04  -0.07  -0.28
    23   1     0.04   0.02   0.00    -0.06   0.01   0.06     0.05   0.02  -0.04
    24   1    -0.01  -0.03   0.12     0.06   0.06  -0.37    -0.06  -0.05   0.29
    25   1    -0.03  -0.01   0.05     0.05  -0.04  -0.04    -0.04   0.04   0.03
    26   1     0.04   0.04  -0.01    -0.06  -0.09   0.02     0.06   0.08   0.01
    27   1     0.10   0.08   0.04    -0.16  -0.19  -0.04     0.11   0.15   0.03
    28   1    -0.00   0.05   0.00     0.03  -0.11  -0.02    -0.02   0.09  -0.01
    29   1    -0.02   0.11  -0.01     0.10  -0.24   0.06    -0.05   0.18  -0.03
    30   1    -0.05   0.11   0.02     0.01  -0.00   0.00     0.04  -0.09   0.01
    31   1    -0.08   0.27  -0.06     0.02  -0.00  -0.01     0.07  -0.17   0.03
    32   1    -0.11   0.04  -0.02     0.01   0.00   0.01     0.09  -0.03  -0.01
    33   1    -0.28   0.05   0.05     0.03   0.02  -0.02     0.17  -0.05  -0.03
    34   1    -0.06   0.00  -0.01    -0.10   0.01  -0.02    -0.10   0.01   0.01
    35   1    -0.15   0.02   0.02    -0.23   0.07   0.06    -0.19   0.03   0.03
    36   1    -0.05  -0.05   0.02    -0.08  -0.06   0.02    -0.07  -0.07  -0.01
    37   1    -0.09  -0.14  -0.04    -0.15  -0.16  -0.04    -0.14  -0.13  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    870.7715               872.6946               872.8134
 Red. masses --      2.6872                 2.4828                 2.4837
 Frc consts  --      1.2005                 1.1141                 1.1148
 IR Inten    --      5.7806                 0.1139                 0.1372
 RamAct Fr= 1--      0.0178                 2.5941                 2.6092
  Dep-P Fr= 1--      0.5488                 0.7497                 0.7488
  Dep-U Fr= 1--      0.7087                 0.8570                 0.8564
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0021                 0.3705                 0.3724
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0070                -0.9856                -0.9877
 Delta2 Fr= 1--     -0.0043                -0.6025                -0.5999
 Raman1 Fr= 1--       0.071                 10.377                 10.437
 ROA1   Fr= 1--      -0.808               -113.899               -114.013
 CID1   Fr= 1--     -11.324                -10.977                -10.924
 Raman2 Fr= 1--       0.025                  4.446                  4.469
 ROA2   Fr= 1--      -0.134                -18.835                -18.905
 CID2   Fr= 1--      -5.280                 -4.236                 -4.231
 Raman3 Fr= 1--       0.051                  8.892                  8.938
 ROA3   Fr= 1--      -0.808               -113.899               -114.013
 CID3   Fr= 1--     -15.979                -12.809                -12.757
 RC180  Fr= 1--       0.417                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.03  -0.01  -0.00     0.12  -0.02   0.07
     2   6     0.07  -0.02   0.05    -0.03  -0.01  -0.03     0.11  -0.03   0.06
     3   7    -0.03   0.08  -0.06     0.01  -0.02   0.01    -0.07   0.13  -0.06
     4  45    -0.00   0.00   0.01    -0.00  -0.01   0.00     0.01  -0.00   0.00
     5   7    -0.06  -0.06  -0.06     0.04   0.03   0.01    -0.11  -0.08  -0.06
     6   7     0.10  -0.03  -0.07    -0.08   0.03   0.04    -0.09   0.04   0.03
     7   6    -0.03   0.08   0.06     0.02  -0.08  -0.05     0.04  -0.07  -0.04
     8   6    -0.02   0.09   0.06     0.01  -0.08  -0.03     0.03  -0.07  -0.05
     9   7    -0.07  -0.08  -0.07     0.05   0.09   0.04     0.04   0.07   0.04
    10   7     0.10  -0.02  -0.06     0.14  -0.00  -0.06    -0.04  -0.00   0.01
    11   6    -0.06  -0.06   0.05    -0.08  -0.08   0.06     0.03   0.00   0.00
    12   6    -0.05  -0.06   0.06    -0.07  -0.09   0.06     0.03   0.01  -0.02
    13   7    -0.03   0.09  -0.06    -0.02   0.14  -0.05     0.00  -0.01   0.01
    14   1    -0.00  -0.11   0.27    -0.01   0.08  -0.22     0.00   0.10  -0.28
    15   1     0.16   0.02  -0.15    -0.12   0.00   0.18    -0.15  -0.00   0.18
    16   1     0.07  -0.08   0.29    -0.07   0.08  -0.30    -0.04   0.06  -0.22
    17   1    -0.14  -0.08  -0.15     0.12   0.09   0.18     0.09   0.07   0.18
    18   1     0.08   0.04   0.25     0.11   0.07   0.37     0.00  -0.01  -0.02
    19   1    -0.09   0.11  -0.14    -0.10   0.17  -0.25     0.00  -0.01   0.06
    20   1     0.03   0.10   0.27     0.05   0.12   0.36    -0.01  -0.05  -0.13
    21   1     0.13  -0.08  -0.14     0.17  -0.07  -0.25    -0.06   0.03   0.05
    22   1    -0.07   0.05   0.23     0.04  -0.03  -0.15    -0.11   0.06   0.36
    23   1    -0.05  -0.13  -0.12     0.03   0.07   0.06    -0.10  -0.17  -0.26
    24   1    -0.09  -0.02   0.23     0.01  -0.01  -0.04    -0.14  -0.02   0.39
    25   1     0.00   0.13  -0.12     0.01  -0.02   0.07    -0.02   0.20  -0.26
    26   1    -0.03  -0.00   0.03     0.04   0.01   0.04    -0.07   0.04  -0.08
    27   1    -0.12   0.04  -0.08     0.02   0.03   0.01    -0.07   0.00  -0.07
    28   1    -0.02   0.01   0.03     0.01   0.03   0.01    -0.09   0.00  -0.09
    29   1    -0.13   0.01  -0.08     0.02   0.02   0.02    -0.06   0.03  -0.07
    30   1     0.02   0.02   0.02     0.07   0.05  -0.09    -0.02   0.02   0.01
    31   1     0.10   0.08  -0.09     0.03   0.06  -0.06    -0.02   0.01   0.01
    32   1     0.03   0.02   0.02     0.04   0.07  -0.09    -0.04  -0.01   0.04
    33   1     0.08   0.11  -0.09     0.05   0.04  -0.07    -0.03   0.02   0.01
    34   1     0.01  -0.03   0.01     0.02   0.06   0.05    -0.02   0.06   0.08
    35   1     0.02  -0.13  -0.09    -0.01   0.04   0.05    -0.03   0.02   0.04
    36   1     0.01  -0.04   0.02    -0.02   0.07   0.07    -0.04   0.04   0.06
    37   1     0.06  -0.13  -0.09     0.02   0.05   0.04    -0.01   0.04   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    982.2636               983.2499               983.4669
 Red. masses --      2.1967                 2.2058                 2.2003
 Frc consts  --      1.2488                 1.2565                 1.2539
 IR Inten    --      3.4569                 3.4396                 3.7059
 RamAct Fr= 1--      0.0382                 4.5979                 4.6443
  Dep-P Fr= 1--      0.7497                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0054                 0.6568                 0.6635
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0014                -0.1921                -0.1505
 Delta2 Fr= 1--      0.0096                 1.0814                 1.0927
 Raman1 Fr= 1--       0.153                 18.392                 18.577
 ROA1   Fr= 1--       0.442                 16.161                 20.518
 CID1   Fr= 1--       2.897                  0.879                  1.104
 Raman2 Fr= 1--       0.065                  7.882                  7.962
 ROA2   Fr= 1--      -0.044                -13.263                -12.354
 CID2   Fr= 1--      -0.670                 -1.683                 -1.552
 Raman3 Fr= 1--       0.131                 15.764                 15.923
 ROA3   Fr= 1--       0.442                 16.161                 20.518
 CID3   Fr= 1--       3.380                  1.025                  1.289
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.10   0.00     0.02   0.10   0.01    -0.04  -0.14   0.00
     2   6     0.02   0.11   0.00    -0.01  -0.10  -0.01     0.03   0.15  -0.00
     3   7     0.00  -0.05  -0.00    -0.00   0.05  -0.00     0.00  -0.07   0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.02   0.04  -0.00    -0.02  -0.04  -0.00     0.03   0.06   0.00
     6   7    -0.06  -0.00   0.00    -0.08  -0.01   0.00    -0.00  -0.00   0.00
     7   6     0.13   0.04   0.00     0.15   0.05  -0.00     0.01   0.01  -0.01
     8   6    -0.12  -0.05   0.00    -0.15  -0.06   0.00    -0.00  -0.01   0.01
     9   7     0.05   0.03   0.00     0.06   0.04   0.00     0.00   0.00   0.00
    10   7    -0.05   0.02  -0.00     0.04  -0.02  -0.00     0.06  -0.03  -0.00
    11   6     0.09  -0.08   0.00    -0.07   0.06   0.01    -0.11   0.09  -0.00
    12   6    -0.09   0.08   0.00     0.06  -0.06  -0.01     0.11  -0.09   0.00
    13   7     0.03  -0.04  -0.00    -0.03   0.04  -0.00    -0.04   0.06  -0.00
    14   1    -0.15  -0.24   0.09    -0.17  -0.29   0.10    -0.00   0.01  -0.01
    15   1     0.10  -0.07  -0.16     0.11  -0.09  -0.20    -0.03  -0.02   0.00
    16   1     0.27  -0.11   0.09     0.32  -0.12   0.11     0.04  -0.03   0.02
    17   1    -0.04  -0.12  -0.16    -0.04  -0.14  -0.21    -0.04  -0.02  -0.03
    18   1     0.26  -0.00   0.08    -0.21  -0.00  -0.07    -0.29   0.01  -0.08
    19   1     0.01   0.11  -0.14     0.01  -0.10   0.13    -0.04  -0.12   0.17
    20   1    -0.04   0.26   0.09     0.03  -0.17  -0.05     0.04  -0.32  -0.10
    21   1     0.11   0.02  -0.15    -0.06  -0.04   0.10    -0.15  -0.02   0.19
    22   1    -0.12   0.20   0.08     0.08  -0.17  -0.05    -0.16   0.29   0.10
    23   1    -0.09  -0.05  -0.13     0.08   0.00   0.11    -0.13  -0.07  -0.20
    24   1    -0.18  -0.14   0.07     0.19   0.14  -0.08    -0.23  -0.19   0.09
    25   1    -0.07   0.07  -0.13     0.06  -0.10   0.14    -0.10   0.08  -0.18
    26   1     0.04   0.09  -0.01    -0.04  -0.13   0.02     0.04   0.11  -0.04
    27   1     0.05   0.14  -0.01    -0.04  -0.09   0.00     0.10   0.19  -0.01
    28   1    -0.00  -0.11  -0.01     0.00   0.06   0.02    -0.01  -0.17  -0.04
    29   1    -0.01  -0.14  -0.01    -0.01   0.16   0.01     0.01  -0.18  -0.01
    30   1     0.08  -0.10  -0.01    -0.03   0.04   0.02    -0.11   0.13   0.04
    31   1     0.10  -0.12  -0.01    -0.08   0.12   0.01    -0.09   0.14   0.01
    32   1    -0.10   0.06  -0.01     0.10  -0.07   0.02     0.09  -0.06   0.04
    33   1    -0.14   0.09  -0.01     0.08  -0.04   0.00     0.19  -0.09   0.01
    34   1    -0.13  -0.02  -0.02    -0.16  -0.03  -0.04    -0.06  -0.01  -0.00
    35   1    -0.17  -0.03  -0.01    -0.21  -0.01  -0.01     0.02  -0.00   0.00
    36   1     0.11   0.06  -0.01     0.13   0.07  -0.04    -0.04  -0.02  -0.00
    37   1     0.16   0.08  -0.01     0.18   0.12  -0.01     0.04   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    996.8252               997.2795              1009.6920
 Red. masses --      1.2460                 1.2452                 1.2697
 Frc consts  --      0.7295                 0.7297                 0.7626
 IR Inten    --      9.0990                 9.4826                 0.0002
 RamAct Fr= 1--      0.1399                 0.1415                 1.2827
  Dep-P Fr= 1--      0.7497                 0.7499                 0.1146
  Dep-U Fr= 1--      0.8569                 0.8571                 0.2056
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0217
 Beta2  Fr= 1--      0.0200                 0.0202                 0.0439
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.2167
 Gamma2 Fr= 1--      0.6279                 0.6584                -0.9421
 Delta2 Fr= 1--      0.1427                 0.1391                 0.2844
 Raman1 Fr= 1--       0.559                  0.566                  5.131
 ROA1   Fr= 1--      64.841                 67.658                -81.345
 CID1   Fr= 1--     115.898                119.570                -15.855
 Raman2 Fr= 1--       0.240                  0.242                  0.527
 ROA2   Fr= 1--      13.927                 14.689                -24.886
 CID2   Fr= 1--      58.102                 60.576                -47.191
 Raman3 Fr= 1--       0.479                  0.485                  1.055
 ROA3   Fr= 1--      64.841                 67.658                -81.345
 CID3   Fr= 1--     135.249                139.510                -77.125
 RC180  Fr= 1--       0.714                  0.714                 -0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.02     0.05  -0.02  -0.03     0.05  -0.02  -0.03
     2   6    -0.04   0.01   0.02    -0.06  -0.01   0.03    -0.05  -0.00   0.03
     3   7     0.01  -0.00  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02   0.00   0.00
     6   7    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
     7   6     0.01  -0.07   0.04     0.01   0.02  -0.00    -0.00   0.05  -0.03
     8   6    -0.05   0.06  -0.03    -0.00  -0.01   0.01     0.03  -0.04   0.03
     9   7     0.00  -0.02   0.00    -0.00   0.00  -0.01    -0.00   0.02  -0.00
    10   7    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    11   6     0.00   0.03   0.01    -0.03  -0.06  -0.03     0.02   0.05   0.03
    12   6    -0.01  -0.02  -0.01     0.06   0.04   0.03    -0.04  -0.03  -0.03
    13   7     0.00   0.01   0.01    -0.01  -0.01   0.00     0.01   0.01   0.00
    14   1    -0.05  -0.20   0.15    -0.01   0.00  -0.01     0.03   0.14  -0.10
    15   1     0.27   0.11  -0.11    -0.03  -0.02   0.01    -0.18  -0.08   0.08
    16   1    -0.14   0.12  -0.14     0.06  -0.04   0.04     0.11  -0.09   0.10
    17   1     0.28   0.07   0.10    -0.06  -0.02  -0.03    -0.19  -0.05  -0.08
    18   1    -0.10  -0.02  -0.06     0.17   0.05   0.14    -0.14  -0.04  -0.10
    19   1     0.08  -0.07   0.05    -0.22   0.17  -0.10     0.16  -0.12   0.08
    20   1     0.01   0.03   0.03    -0.03  -0.19  -0.14     0.02   0.14   0.10
    21   1     0.06  -0.07  -0.03    -0.20   0.20   0.10     0.14  -0.15  -0.08
    22   1     0.07  -0.06  -0.08     0.12  -0.13  -0.12     0.10  -0.10  -0.10
    23   1     0.02   0.18   0.06     0.03   0.23   0.09     0.02   0.20   0.08
    24   1    -0.14  -0.06   0.11    -0.12  -0.04   0.10    -0.13  -0.05   0.10
    25   1     0.05   0.19  -0.08     0.06   0.21  -0.08     0.06   0.20  -0.08
    26   1     0.06   0.22  -0.02     0.05   0.23  -0.03     0.05   0.23  -0.04
    27   1    -0.08  -0.11   0.01    -0.07  -0.17   0.03    -0.06  -0.16   0.02
    28   1     0.03   0.19   0.02     0.04   0.26   0.02     0.04   0.23   0.04
    29   1    -0.01  -0.16  -0.02     0.03  -0.16  -0.01    -0.01  -0.17  -0.02
    30   1     0.07  -0.06  -0.01    -0.23   0.22   0.03     0.17  -0.16  -0.04
    31   1    -0.07   0.06   0.02     0.11  -0.18  -0.02    -0.11   0.13   0.02
    32   1     0.10  -0.08   0.01    -0.24   0.19  -0.03     0.18  -0.15   0.04
    33   1    -0.07   0.01   0.00     0.19  -0.10   0.03    -0.14   0.09  -0.02
    34   1     0.31   0.09   0.03    -0.08  -0.02  -0.00    -0.22  -0.07  -0.04
    35   1    -0.23  -0.02  -0.03     0.03  -0.02  -0.01     0.17   0.03   0.02
    36   1     0.31   0.12  -0.03    -0.03  -0.01   0.01    -0.21  -0.08   0.04
    37   1    -0.18  -0.13   0.02     0.06   0.01  -0.01     0.15   0.08  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1047.5131              1047.6047              1050.7942
 Red. masses --      3.1933                 3.1927                 3.1353
 Frc consts  --      2.0645                 2.0645                 2.0397
 IR Inten    --     68.9239                68.6282                 0.0195
 RamAct Fr= 1--      0.5552                 0.5565                 1.6638
  Dep-P Fr= 1--      0.7495                 0.7500                 0.3640
  Dep-U Fr= 1--      0.8568                 0.8571                 0.5337
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0140
 Beta2  Fr= 1--      0.0793                 0.0795                 0.1480
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0779
 Gamma2 Fr= 1--      1.7871                 1.7906                 1.3985
 Delta2 Fr= 1--      0.8457                 0.8492                 1.2540
 Raman1 Fr= 1--       2.221                  2.226                  6.655
 ROA1   Fr= 1--     198.622                199.075                174.390
 CID1   Fr= 1--      89.429                 89.427                 26.203
 Raman2 Fr= 1--       0.951                  0.954                  1.776
 ROA2   Fr= 1--      36.125                 36.182                 23.533
 CID2   Fr= 1--      37.967                 37.926                 13.250
 Raman3 Fr= 1--       1.903                  1.908                  3.552
 ROA3   Fr= 1--     198.622                199.075                174.390
 CID3   Fr= 1--     104.375                104.335                 49.095
 RC180  Fr= 1--       0.714                  0.714                  0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.06     0.10   0.06   0.17     0.08   0.05   0.13
     2   6    -0.03   0.03  -0.06    -0.07   0.09  -0.17    -0.05   0.07  -0.13
     3   7     0.01  -0.04   0.01     0.03  -0.11   0.01     0.03  -0.08   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.03  -0.04  -0.00    -0.07  -0.09  -0.01    -0.06  -0.07  -0.01
     6   7    -0.12   0.02   0.01    -0.02   0.00   0.00     0.08  -0.01  -0.01
     7   6     0.11  -0.06  -0.18     0.01  -0.01  -0.03    -0.07   0.04   0.12
     8   6     0.05   0.11   0.18     0.01   0.02   0.03    -0.03  -0.08  -0.12
     9   7    -0.09  -0.09  -0.01    -0.01  -0.02  -0.00     0.06   0.06   0.01
    10   7    -0.08   0.02   0.01     0.09  -0.03  -0.01    -0.09   0.02   0.01
    11   6     0.08   0.01  -0.11    -0.09  -0.01   0.14     0.09   0.01  -0.13
    12   6     0.00  -0.07   0.11    -0.01   0.10  -0.14     0.00  -0.09   0.13
    13   7    -0.03   0.07  -0.01     0.04  -0.09   0.01    -0.03   0.08  -0.01
    14   1     0.11   0.10   0.35     0.02   0.03   0.06    -0.08  -0.08  -0.26
    15   1     0.13   0.15   0.22     0.01   0.02   0.02    -0.09  -0.10  -0.15
    16   1     0.15  -0.02  -0.35     0.01   0.00  -0.05    -0.11   0.01   0.26
    17   1     0.19  -0.04  -0.22     0.04  -0.01  -0.04    -0.14   0.03   0.15
    18   1     0.10  -0.03  -0.22    -0.10   0.03   0.27     0.11  -0.03  -0.26
    19   1     0.11  -0.02  -0.13    -0.16   0.03   0.18     0.14  -0.03  -0.15
    20   1     0.03  -0.07   0.21    -0.05   0.12  -0.28     0.05  -0.11   0.27
    21   1     0.04  -0.12   0.14    -0.04   0.14  -0.17     0.04  -0.13   0.15
    22   1    -0.01   0.04  -0.12    -0.04   0.14  -0.33    -0.03   0.11  -0.27
    23   1    -0.03   0.08  -0.09    -0.06   0.17  -0.20    -0.05   0.14  -0.15
    24   1     0.04   0.05   0.13     0.08   0.11   0.33     0.07   0.09   0.27
    25   1     0.04   0.04   0.07     0.12   0.13   0.20     0.10   0.11   0.15
    26   1    -0.03  -0.03  -0.02    -0.06  -0.03  -0.04    -0.05  -0.02  -0.02
    27   1     0.01   0.07  -0.02    -0.00   0.15  -0.05    -0.01   0.09  -0.03
    28   1     0.02  -0.00   0.02     0.04  -0.06   0.04     0.03  -0.04   0.02
    29   1     0.03   0.04   0.02     0.06   0.15   0.05     0.04   0.07   0.03
    30   1     0.01   0.03  -0.03     0.01  -0.07   0.04     0.00   0.05  -0.02
    31   1     0.08  -0.04  -0.03    -0.12   0.07   0.04     0.08  -0.03  -0.03
    32   1    -0.06  -0.00   0.03     0.05   0.02  -0.04    -0.05  -0.01   0.02
    33   1     0.07  -0.08   0.03    -0.07   0.10  -0.04     0.04  -0.07   0.03
    34   1    -0.06   0.04   0.05     0.01   0.01   0.01     0.04  -0.03  -0.02
    35   1     0.14   0.08   0.05     0.01   0.01   0.01    -0.06  -0.05  -0.03
    36   1    -0.02  -0.07  -0.05    -0.02  -0.02  -0.01     0.01   0.05   0.02
    37   1     0.16   0.02  -0.05     0.03   0.01  -0.01    -0.08  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1108.4617              1117.7034              1118.3114
 Red. masses --      1.0212                 1.0268                 1.0266
 Frc consts  --      0.7393                 0.7557                 0.7565
 IR Inten    --      0.9199                 0.0040                 0.0027
 RamAct Fr= 1--      0.0014                 0.6526                 0.6435
  Dep-P Fr= 1--      0.5948                 0.7500                 0.7500
  Dep-U Fr= 1--      0.7459                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0002                 0.0932                 0.0919
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0011                -0.5686                -0.5528
 Delta2 Fr= 1--     -0.0004                -0.3533                -0.3409
 Raman1 Fr= 1--       0.006                  2.611                  2.574
 ROA1   Fr= 1--      -0.118                -65.891                -63.974
 CID1   Fr= 1--     -20.381                -25.240                -24.853
 Raman2 Fr= 1--       0.002                  1.119                  1.103
 ROA2   Fr= 1--      -0.023                -10.820                -10.540
 CID2   Fr= 1--     -10.529                 -9.671                 -9.554
 Raman3 Fr= 1--       0.004                  2.238                  2.206
 ROA3   Fr= 1--      -0.118                -65.891                -63.974
 CID3   Fr= 1--     -27.324                -29.447                -28.996
 RC180  Fr= 1--       0.492                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   7    -0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.01   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
     6   7    -0.01  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00     0.01   0.00   0.01     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    10   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    13   7     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    14   1     0.05   0.09   0.09    -0.07  -0.10  -0.09    -0.03  -0.04  -0.05
    15   1    -0.11  -0.13  -0.18     0.14   0.15   0.20     0.07   0.08   0.11
    16   1    -0.10   0.04   0.09     0.11  -0.03  -0.09     0.07  -0.03  -0.05
    17   1     0.16  -0.04  -0.18    -0.20   0.04   0.20    -0.11   0.02   0.10
    18   1    -0.10   0.00   0.09    -0.02  -0.00   0.00    -0.14   0.01   0.11
    19   1     0.15  -0.03  -0.17     0.01  -0.00  -0.00     0.23  -0.05  -0.24
    20   1     0.02  -0.10   0.09     0.00   0.01   0.00     0.03  -0.14   0.11
    21   1    -0.04   0.15  -0.17    -0.00   0.01  -0.02    -0.08   0.22  -0.24
    22   1     0.05  -0.09   0.09     0.05  -0.10   0.09    -0.04   0.07  -0.05
    23   1    -0.06   0.15  -0.17    -0.06   0.19  -0.20     0.04  -0.11   0.11
    24   1     0.08   0.06   0.09     0.10   0.08   0.09    -0.04  -0.04  -0.05
    25   1    -0.11  -0.11  -0.17    -0.13  -0.16  -0.20     0.08   0.09   0.12
    26   1    -0.08  -0.26   0.01    -0.10  -0.32  -0.00     0.05   0.18   0.00
    27   1     0.09   0.09   0.00     0.11   0.17  -0.00    -0.08  -0.09  -0.00
    28   1     0.02   0.27   0.01     0.03   0.32  -0.00    -0.02  -0.20  -0.00
    29   1     0.05  -0.12   0.00     0.05  -0.19  -0.00    -0.01   0.12   0.01
    30   1    -0.18   0.20   0.01    -0.01   0.01  -0.00    -0.26   0.28  -0.00
    31   1     0.03  -0.12   0.00    -0.01  -0.01   0.00     0.10  -0.21  -0.00
    32   1     0.22  -0.15   0.01     0.02  -0.01   0.00     0.31  -0.22  -0.00
    33   1    -0.13   0.01   0.00    -0.01   0.02  -0.00    -0.22   0.07  -0.00
    34   1     0.28   0.06   0.01    -0.31  -0.07   0.00    -0.17  -0.04  -0.00
    35   1    -0.13   0.04   0.00     0.19  -0.02   0.00     0.11   0.01   0.01
    36   1    -0.26  -0.12   0.01     0.30   0.13   0.00     0.15   0.07   0.01
    37   1     0.08   0.11  -0.00    -0.16  -0.13   0.01    -0.07  -0.08  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.7747              1172.1504              1193.0513
 Red. masses --      1.0716                 1.0712                 1.0616
 Frc consts  --      0.8669                 0.8671                 0.8903
 IR Inten    --     69.5740                69.4777                 0.0021
 RamAct Fr= 1--      9.0348                 9.0477                 7.1542
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2518
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4024
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0844
 Beta2  Fr= 1--      1.2907                 1.2925                 0.4798
 AlphaG Fr= 1--      0.0000                -0.0000                -0.1854
 Gamma2 Fr= 1--      1.8950                 1.9119                -1.7763
 Delta2 Fr= 1--      5.2318                 5.2457                -5.2080
 Raman1 Fr= 1--      36.139                 36.191                 28.617
 ROA1   Fr= 1--     349.341                351.405               -337.183
 CID1   Fr= 1--       9.667                  9.710                -11.783
 Raman2 Fr= 1--      15.488                 15.510                  5.757
 ROA2   Fr= 1--       3.627                  3.919                 -0.967
 CID2   Fr= 1--       0.234                  0.253                 -0.168
 Raman3 Fr= 1--      30.976                 31.020                 11.514
 ROA3   Fr= 1--     349.341                351.405               -337.183
 CID3   Fr= 1--      11.278                 11.328                -29.284
 RC180  Fr= 1--       0.714                  0.714                 -0.195
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   7    -0.00  -0.01  -0.00    -0.00  -0.04  -0.02     0.00  -0.02  -0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.01  -0.02   0.01
     6   7    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.02  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   7    -0.03  -0.01   0.02    -0.01  -0.00   0.00     0.02   0.02  -0.01
    10   7    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    13   7    -0.01   0.02   0.01     0.02  -0.02  -0.01    -0.01   0.02   0.01
    14   1    -0.13  -0.18  -0.24    -0.03  -0.04  -0.05     0.10   0.15   0.17
    15   1     0.02   0.02   0.02    -0.00   0.00   0.00    -0.02  -0.01  -0.02
    16   1    -0.22   0.07   0.24    -0.04   0.01   0.05     0.17  -0.06  -0.17
    17   1     0.02   0.00  -0.01     0.01   0.00  -0.00    -0.02   0.00   0.02
    18   1    -0.16   0.01   0.17     0.17  -0.02  -0.18    -0.18   0.01   0.17
    19   1     0.01  -0.00  -0.01    -0.02   0.01   0.01     0.02  -0.01  -0.02
    20   1    -0.04   0.15  -0.16     0.04  -0.17   0.18    -0.04   0.18  -0.17
    21   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.01  -0.02   0.02
    22   1     0.03  -0.07   0.07     0.09  -0.20   0.24     0.08  -0.16   0.17
    23   1     0.00   0.01  -0.00    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    24   1    -0.06  -0.05  -0.08    -0.16  -0.15  -0.23    -0.13  -0.12  -0.17
    25   1     0.00   0.00   0.00     0.01   0.02   0.01     0.01   0.02   0.02
    26   1     0.02   0.08  -0.03     0.04   0.20  -0.10     0.03   0.15  -0.06
    27   1     0.03   0.15  -0.02     0.08   0.35  -0.04     0.07   0.26  -0.03
    28   1     0.01   0.06   0.03     0.04   0.21   0.11     0.03   0.15   0.06
    29   1     0.01   0.10   0.01     0.07   0.38   0.04     0.03   0.27   0.03
    30   1     0.10  -0.09  -0.07    -0.13   0.11   0.08     0.11  -0.10  -0.06
    31   1     0.17  -0.17  -0.03    -0.23   0.21   0.04     0.19  -0.19  -0.03
    32   1     0.12  -0.10   0.08    -0.12   0.10  -0.08     0.11  -0.10   0.06
    33   1     0.22  -0.18   0.03    -0.21   0.17  -0.03     0.22  -0.17   0.03
    34   1     0.20   0.07   0.11     0.03   0.01   0.02    -0.14  -0.05  -0.06
    35   1     0.37   0.12   0.04     0.05   0.01   0.00    -0.27  -0.07  -0.03
    36   1     0.20   0.07  -0.11     0.05   0.02  -0.02    -0.14  -0.05   0.06
    37   1     0.35   0.13  -0.04     0.10   0.03  -0.01    -0.25  -0.11   0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1225.7487              1226.1536              1247.0729
 Red. masses --      1.2483                 1.2468                 1.2371
 Frc consts  --      1.1050                 1.1045                 1.1336
 IR Inten    --      0.0051                 0.0031                38.5500
 RamAct Fr= 1--      5.9035                 5.9202                 0.0012
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3149
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4790
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.8434                 0.8457                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -6.3433                -6.3794                -0.0010
 Delta2 Fr= 1--     -0.2612                -0.2445                -0.0001
 Raman1 Fr= 1--      23.614                 23.681                  0.005
 ROA1   Fr= 1--    -617.319               -620.244                 -0.096
 CID1   Fr= 1--     -26.142                -26.192                -20.236
 Raman2 Fr= 1--      10.120                 10.149                  0.001
 ROA2   Fr= 1--    -150.150               -151.149                 -0.022
 CID2   Fr= 1--     -14.837                -14.893                -19.059
 Raman3 Fr= 1--      20.240                 20.298                  0.002
 ROA3   Fr= 1--    -617.319               -620.244                 -0.096
 CID3   Fr= 1--     -30.499                -30.557                -42.243
 RC180  Fr= 1--       0.714                  0.714                 -0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00  -0.03   0.02    -0.00  -0.03   0.01
     2   6    -0.01  -0.02  -0.01     0.00   0.04   0.02     0.01   0.03   0.01
     3   7     0.01   0.03   0.02    -0.00  -0.05  -0.03    -0.01  -0.04  -0.02
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01  -0.03   0.02     0.01   0.05  -0.03     0.01   0.04  -0.02
     6   7    -0.05  -0.01  -0.04    -0.00   0.00   0.00    -0.04  -0.01  -0.02
     7   6     0.04   0.01   0.02     0.00  -0.01   0.00     0.03   0.01   0.01
     8   6    -0.04  -0.01   0.02    -0.00   0.01   0.00    -0.03  -0.01   0.01
     9   7     0.05   0.02  -0.04     0.00  -0.00  -0.00     0.04   0.01  -0.02
    10   7     0.02  -0.01   0.02     0.04  -0.03   0.03    -0.03   0.03  -0.02
    11   6    -0.02   0.01  -0.01    -0.02   0.03  -0.02     0.02  -0.02   0.01
    12   6     0.02  -0.01  -0.01     0.03  -0.03  -0.02    -0.02   0.02   0.01
    13   7    -0.02   0.02   0.02    -0.03   0.04   0.03     0.03  -0.03  -0.02
    14   1     0.02   0.04   0.16    -0.02  -0.03  -0.02     0.00   0.02   0.09
    15   1     0.00  -0.02  -0.01     0.01   0.01  -0.00     0.03   0.01   0.02
    16   1    -0.04   0.02   0.16    -0.03   0.01   0.02    -0.01   0.01   0.09
    17   1     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.03  -0.01   0.02
    18   1     0.05   0.00  -0.09     0.02   0.00  -0.13    -0.02  -0.01   0.09
    19   1    -0.02  -0.00   0.00    -0.01  -0.01   0.01    -0.03   0.02   0.02
    20   1     0.00  -0.01  -0.07    -0.01   0.06  -0.15    -0.00  -0.02   0.09
    21   1    -0.01  -0.00   0.01    -0.01  -0.02   0.01     0.02  -0.02   0.02
    22   1     0.00  -0.01  -0.07     0.03  -0.05   0.15     0.01  -0.01   0.09
    23   1     0.01   0.00   0.01    -0.02   0.01  -0.00    -0.00  -0.03   0.02
    24   1    -0.04  -0.03  -0.10     0.02   0.01   0.13     0.02   0.01   0.09
    25   1     0.01   0.01   0.00    -0.01   0.00  -0.01     0.01   0.03   0.02
    26   1     0.01   0.10  -0.07    -0.03  -0.18   0.14    -0.02  -0.12   0.07
    27   1     0.09   0.26  -0.02    -0.10  -0.38   0.03    -0.09  -0.35   0.04
    28   1    -0.03  -0.11  -0.08     0.04   0.17   0.13     0.02   0.11   0.07
    29   1    -0.04  -0.22  -0.02     0.04   0.42   0.03     0.05   0.36   0.04
    30   1     0.09  -0.07  -0.08     0.14  -0.11  -0.13    -0.09   0.08   0.07
    31   1     0.15  -0.14  -0.02     0.29  -0.32  -0.03    -0.26   0.25   0.04
    32   1    -0.07   0.07  -0.07    -0.13   0.13  -0.14     0.09  -0.08   0.07
    33   1    -0.22   0.14  -0.02    -0.32   0.24  -0.03     0.28  -0.22   0.04
    34   1     0.19   0.08   0.15    -0.01  -0.00  -0.01     0.12   0.04   0.08
    35   1     0.46   0.11   0.04     0.04  -0.01   0.00     0.35   0.10   0.04
    36   1    -0.20  -0.06   0.15    -0.01  -0.01   0.01    -0.11  -0.04   0.08
    37   1    -0.43  -0.19   0.04     0.01   0.02  -0.00    -0.34  -0.14   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.1171              1291.1475              1296.0330
 Red. masses --      1.4120                 1.4127                 1.3762
 Frc consts  --      1.3868                 1.3875                 1.3620
 IR Inten    --      0.5905                 0.6152                 0.0035
 RamAct Fr= 1--      1.9381                 1.9485                 5.2715
  Dep-P Fr= 1--      0.7426                 0.7455                 0.0175
  Dep-U Fr= 1--      0.8523                 0.8542                 0.0343
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.1125
 Beta2  Fr= 1--      0.2753                 0.2774                 0.0302
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0332
 Gamma2 Fr= 1--      0.6280                 0.6264                 1.2314
 Delta2 Fr= 1--      0.2519                 0.2512                 0.7215
 Raman1 Fr= 1--       7.752                  7.794                 21.086
 ROA1   Fr= 1--      68.349                 68.170                141.299
 CID1   Fr= 1--       8.816                  8.747                  6.701
 Raman2 Fr= 1--       3.304                  3.329                  0.362
 ROA2   Fr= 1--      13.057                 13.024                 23.781
 CID2   Fr= 1--       3.952                  3.912                 65.675
 Raman3 Fr= 1--       6.607                  6.658                  0.724
 ROA3   Fr= 1--      68.349                 68.170                141.299
 CID3   Fr= 1--      10.344                 10.239                195.107
 RC180  Fr= 1--       0.705                  0.708                 -0.931
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.02  -0.03    -0.07   0.02   0.03    -0.06   0.02   0.03
     2   6    -0.06   0.01   0.03     0.07  -0.01  -0.03     0.06  -0.01  -0.03
     3   7     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.02  -0.01   0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01   0.02   0.01     0.02  -0.02  -0.02     0.02  -0.01  -0.02
     6   7     0.00  -0.01   0.01    -0.01  -0.03   0.02     0.00   0.02  -0.01
     7   6    -0.01   0.03  -0.02    -0.02   0.09  -0.04     0.02  -0.06   0.03
     8   6     0.02  -0.03   0.01     0.03  -0.08   0.04    -0.02   0.05  -0.03
     9   7    -0.01   0.01  -0.00    -0.03   0.02  -0.02     0.01  -0.01   0.01
    10   7     0.00   0.03   0.02     0.00   0.00   0.01     0.00   0.02   0.02
    11   6    -0.05  -0.07  -0.04    -0.01  -0.01  -0.01    -0.04  -0.05  -0.03
    12   6     0.06   0.06   0.04     0.01   0.01   0.00     0.05   0.05   0.03
    13   7    -0.03  -0.01  -0.02    -0.01   0.00   0.00    -0.02  -0.01  -0.02
    14   1     0.01   0.03  -0.05     0.04   0.08  -0.07    -0.01  -0.02   0.06
    15   1    -0.01   0.02   0.12    -0.06   0.02   0.29     0.03  -0.03  -0.22
    16   1     0.03  -0.01   0.01     0.09  -0.04   0.08    -0.03   0.01  -0.06
    17   1    -0.03  -0.02  -0.11    -0.02  -0.05  -0.29     0.01   0.04   0.22
    18   1     0.09   0.01   0.08     0.01  -0.00  -0.01     0.04   0.00   0.07
    19   1    -0.00   0.06  -0.29    -0.02   0.02  -0.04     0.01   0.05  -0.25
    20   1     0.01  -0.09  -0.07    -0.00  -0.02  -0.03     0.00  -0.04  -0.07
    21   1    -0.06   0.00   0.28    -0.00  -0.01   0.04    -0.05  -0.01   0.25
    22   1     0.03  -0.06  -0.04    -0.04   0.06   0.07    -0.02   0.03   0.07
    23   1     0.03   0.04   0.20    -0.04  -0.02  -0.23    -0.04  -0.02  -0.23
    24   1    -0.06  -0.04   0.07     0.06   0.04  -0.05     0.03   0.02  -0.06
    25   1    -0.03   0.03  -0.20     0.02  -0.05   0.22     0.03  -0.03   0.23
    26   1    -0.10  -0.25  -0.02     0.11   0.26   0.04     0.10   0.24   0.02
    27   1     0.10   0.11   0.01    -0.13  -0.14  -0.01    -0.11  -0.14  -0.01
    28   1     0.01  -0.25   0.03    -0.00   0.29  -0.03     0.00   0.26  -0.02
    29   1    -0.06   0.17  -0.01     0.06  -0.15   0.01     0.05  -0.17   0.01
    30   1     0.22  -0.29   0.04     0.04  -0.05  -0.00     0.17  -0.22   0.02
    31   1    -0.07   0.23  -0.01    -0.00   0.01  -0.00    -0.07   0.18  -0.01
    32   1     0.32  -0.18  -0.04     0.04  -0.02  -0.01     0.24  -0.14  -0.02
    33   1    -0.22   0.04   0.01    -0.06   0.01   0.00    -0.19   0.04   0.01
    34   1     0.14   0.01  -0.02     0.37   0.05  -0.04    -0.24  -0.03   0.02
    35   1    -0.11   0.03   0.01    -0.23   0.05   0.01     0.17  -0.02  -0.01
    36   1     0.13   0.08   0.01     0.31   0.19   0.04    -0.20  -0.12  -0.02
    37   1    -0.04  -0.05  -0.00    -0.15  -0.19  -0.01     0.12   0.12   0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.8475              1332.0743              1341.4251
 Red. masses --      1.1854                 1.1859                 1.1699
 Frc consts  --      1.2389                 1.2398                 1.2403
 IR Inten    --     25.1226                25.3078                 0.0075
 RamAct Fr= 1--      4.3786                 4.2980                 1.6089
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1990
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3319
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0219
 Beta2  Fr= 1--      0.6255                 0.6140                 0.0890
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0509
 Gamma2 Fr= 1--     -6.2444                -6.2212                 2.1674
 Delta2 Fr= 1--     -6.1610                -6.1196                 1.2699
 Raman1 Fr= 1--      17.515                 17.192                  6.436
 ROA1   Fr= 1--    -796.611               -793.058                248.712
 CID1   Fr= 1--     -45.483                -46.129                 38.647
 Raman2 Fr= 1--       7.506                  7.368                  1.068
 ROA2   Fr= 1--    -100.577               -100.351                 41.859
 CID2   Fr= 1--     -13.399                -13.620                 39.190
 Raman3 Fr= 1--      15.012                 14.736                  2.136
 ROA3   Fr= 1--    -796.611               -793.058                248.712
 CID3   Fr= 1--     -53.064                -53.817                116.428
 RC180  Fr= 1--       0.714                  0.714                 -0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00   0.01  -0.04    -0.01   0.01  -0.03
     2   6    -0.00   0.00   0.01     0.01   0.01   0.04     0.01   0.01   0.03
     3   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.02    -0.02  -0.03  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.01  -0.01   0.00     0.02  -0.05   0.02     0.01  -0.03   0.01
     6   7    -0.03  -0.04  -0.02    -0.01  -0.01  -0.01     0.02   0.03   0.01
     7   6     0.00   0.01   0.04     0.01  -0.00   0.01    -0.00  -0.01  -0.03
     8   6     0.01  -0.00  -0.04     0.00  -0.01  -0.01    -0.01   0.01   0.03
     9   7    -0.04   0.01   0.02    -0.02   0.01   0.00     0.03  -0.01  -0.01
    10   7    -0.01   0.04  -0.01     0.01  -0.03   0.01    -0.01   0.03  -0.01
    11   6    -0.00  -0.01   0.03    -0.01   0.01  -0.03    -0.00  -0.01   0.03
    12   6     0.01  -0.00  -0.03    -0.01  -0.00   0.03     0.01   0.00  -0.03
    13   7    -0.03   0.01   0.01     0.04  -0.00  -0.01    -0.04   0.01   0.01
    14   1     0.16   0.23   0.20     0.07   0.09   0.10    -0.12  -0.16  -0.15
    15   1    -0.10  -0.14  -0.23    -0.06  -0.07  -0.08     0.10   0.11   0.16
    16   1     0.29  -0.09  -0.24     0.06  -0.02  -0.03    -0.19   0.05   0.15
    17   1    -0.19   0.05   0.24    -0.02   0.01   0.06     0.15  -0.03  -0.16
    18   1     0.25  -0.03  -0.20    -0.18   0.01   0.12     0.20  -0.02  -0.15
    19   1    -0.17   0.03   0.19     0.10  -0.01  -0.16    -0.15   0.03   0.16
    20   1     0.04  -0.20   0.14    -0.05   0.22  -0.19     0.05  -0.20   0.15
    21   1    -0.02   0.11  -0.17     0.05  -0.15   0.18    -0.05   0.15  -0.16
    22   1    -0.02   0.03  -0.01    -0.13   0.28  -0.24    -0.08   0.18  -0.15
    23   1     0.01  -0.00   0.04     0.08  -0.18   0.25     0.05  -0.15   0.16
    24   1     0.06   0.07   0.09     0.22   0.20   0.22     0.14   0.13   0.15
    25   1    -0.05  -0.06  -0.07    -0.13  -0.13  -0.24    -0.10  -0.11  -0.16
    26   1     0.03   0.06  -0.01     0.08   0.19  -0.07     0.07   0.18  -0.04
    27   1    -0.02   0.02  -0.01    -0.00   0.16  -0.02     0.01   0.11  -0.02
    28   1     0.00   0.02   0.02     0.00   0.21   0.06     0.00   0.20   0.04
    29   1    -0.00   0.05   0.00     0.07   0.14   0.02     0.04   0.10   0.02
    30   1     0.09  -0.11  -0.05    -0.10   0.13   0.04     0.13  -0.16  -0.04
    31   1     0.10  -0.07  -0.01    -0.09   0.03   0.02     0.10  -0.06  -0.02
    32   1     0.15  -0.09   0.05    -0.10   0.06  -0.05     0.17  -0.10   0.04
    33   1     0.05  -0.10   0.02    -0.08   0.08  -0.01     0.07  -0.09   0.02
    34   1     0.21   0.03   0.06     0.04   0.01   0.03    -0.20  -0.03  -0.04
    35   1     0.12   0.09   0.02     0.06   0.01   0.00    -0.10  -0.05  -0.02
    36   1     0.17   0.09  -0.07     0.07   0.05  -0.01    -0.17  -0.09   0.04
    37   1     0.15   0.02  -0.02     0.04  -0.02  -0.01    -0.11  -0.02   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1346.2580              1348.4601              1348.5031
 Red. masses --      1.1927                 1.1917                 1.1913
 Frc consts  --      1.2736                 1.2767                 1.2764
 IR Inten    --     11.9941                 4.1926                 4.3316
 RamAct Fr= 1--      0.0184                 9.2297                 9.1660
  Dep-P Fr= 1--      0.7331                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8460                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0026                 1.3185                 1.3094
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0124                10.9553                11.0005
 Delta2 Fr= 1--     -0.0011                 2.4014                 2.4551
 Raman1 Fr= 1--       0.074                 36.919                 36.664
 ROA1   Fr= 1--       1.160               1128.559               1134.608
 CID1   Fr= 1--      15.720                 30.569                 30.946
 Raman2 Fr= 1--       0.031                 15.822                 15.713
 ROA2   Fr= 1--       0.307                243.717                244.370
 CID2   Fr= 1--       9.847                 15.404                 15.552
 Raman3 Fr= 1--       0.062                 31.644                 31.426
 ROA3   Fr= 1--       1.160               1128.559               1134.608
 CID3   Fr= 1--      18.582                 35.665                 36.105
 RC180  Fr= 1--       0.692                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.01    -0.04  -0.00  -0.01     0.04   0.01   0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.03  -0.02   0.01
     3   7     0.03   0.01  -0.00     0.02   0.01  -0.00    -0.03  -0.02   0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.03  -0.00     0.02  -0.03  -0.00    -0.02   0.02   0.00
     6   7     0.01   0.03  -0.00    -0.02  -0.04   0.00    -0.01  -0.01  -0.00
     7   6     0.03  -0.03  -0.01    -0.03   0.04   0.01    -0.00   0.01   0.01
     8   6    -0.00  -0.04  -0.01     0.00   0.05   0.01     0.00   0.01  -0.00
     9   7    -0.03   0.02  -0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    10   7    -0.00  -0.03  -0.00     0.00  -0.02   0.00    -0.00  -0.04  -0.00
    11   6     0.03   0.02  -0.01     0.02   0.01  -0.01     0.05   0.02  -0.01
    12   6     0.01   0.03  -0.01     0.00   0.02   0.00     0.02   0.05  -0.01
    13   7    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00
    14   1     0.13   0.16   0.22    -0.18  -0.23  -0.28    -0.01  -0.02  -0.02
    15   1    -0.12  -0.11  -0.05     0.14   0.14   0.08     0.00   0.00  -0.01
    16   1    -0.20   0.05   0.22     0.26  -0.07  -0.27     0.08  -0.02  -0.08
    17   1     0.15  -0.01  -0.05    -0.18   0.02   0.07    -0.06   0.01   0.04
    18   1    -0.19   0.03   0.20    -0.12   0.02   0.12    -0.27   0.03   0.27
    19   1     0.14  -0.04  -0.05     0.09  -0.03  -0.04     0.18  -0.05  -0.07
    20   1     0.05  -0.18   0.21     0.02  -0.07   0.07     0.08  -0.28   0.28
    21   1    -0.06   0.13  -0.05    -0.01   0.04  -0.01    -0.08   0.19  -0.08
    22   1     0.07  -0.19   0.22     0.07  -0.16   0.17    -0.09   0.21  -0.23
    23   1    -0.03   0.15  -0.05    -0.03   0.11  -0.03     0.04  -0.16   0.07
    24   1     0.14   0.15   0.22     0.15   0.15   0.21    -0.14  -0.13  -0.19
    25   1    -0.09  -0.13  -0.05    -0.09  -0.12  -0.07     0.08   0.10   0.04
    26   1     0.09   0.20  -0.01     0.10   0.22  -0.01    -0.09  -0.19   0.01
    27   1    -0.08  -0.03  -0.01    -0.05   0.00  -0.01     0.06   0.02   0.01
    28   1     0.01  -0.22  -0.01     0.01  -0.18  -0.00    -0.00   0.26   0.01
    29   1    -0.06   0.06  -0.01    -0.05   0.04  -0.01     0.05  -0.02   0.01
    30   1     0.11  -0.16  -0.01     0.04  -0.06   0.00     0.19  -0.26  -0.01
    31   1     0.02   0.08  -0.01     0.00   0.04  -0.01     0.03   0.07  -0.02
    32   1    -0.18   0.09  -0.01    -0.13   0.07  -0.01    -0.27   0.15  -0.01
    33   1     0.08   0.02  -0.01     0.01   0.02  -0.01     0.07   0.04  -0.02
    34   1    -0.21  -0.02  -0.01     0.30   0.03   0.01     0.09   0.01   0.01
    35   1     0.06  -0.05  -0.01    -0.05   0.06   0.02     0.01   0.01   0.00
    36   1     0.19   0.12  -0.01    -0.28  -0.17   0.01    -0.01  -0.01  -0.00
    37   1    -0.02  -0.08  -0.01    -0.00   0.08   0.02     0.01   0.02   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5241              1405.5276              1405.7048
 Red. masses --      1.2649                 1.2670                 1.2666
 Frc consts  --      1.4702                 1.4747                 1.4746
 IR Inten    --      0.0749                 1.3551                 1.3702
 RamAct Fr= 1--      0.0096                 1.8627                 1.8628
  Dep-P Fr= 1--      0.7498                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0014                 0.2661                 0.2661
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0119                -2.5220                -2.5422
 Delta2 Fr= 1--     -0.0048                -1.0674                -1.0748
 Raman1 Fr= 1--       0.038                  7.451                  7.451
 ROA1   Fr= 1--      -1.298               -276.269               -278.449
 CID1   Fr= 1--     -33.767                -37.080                -37.369
 Raman2 Fr= 1--       0.016                  3.193                  3.193
 ROA2   Fr= 1--      -0.248                -51.989                -52.415
 CID2   Fr= 1--     -15.034                -16.281                -16.413
 Raman3 Fr= 1--       0.033                  6.386                  6.387
 ROA3   Fr= 1--      -1.298               -276.269               -278.449
 CID3   Fr= 1--     -39.400                -43.260                -43.597
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.04    -0.00  -0.01  -0.02     0.01   0.05   0.07
     2   6    -0.00  -0.03   0.04     0.00   0.01  -0.02    -0.01  -0.05   0.07
     3   7     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.02   0.00  -0.02
     6   7    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
     7   6    -0.04  -0.01   0.05    -0.04  -0.01   0.06     0.01   0.00  -0.02
     8   6     0.04   0.01   0.05     0.04   0.02   0.06    -0.01  -0.01  -0.02
     9   7     0.00   0.02  -0.02     0.00   0.02  -0.02    -0.00  -0.01   0.01
    10   7    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.01   0.01   0.01
    11   6    -0.03   0.02   0.04     0.03  -0.02  -0.05     0.02  -0.02  -0.04
    12   6     0.02  -0.02   0.04    -0.03   0.03  -0.05    -0.02   0.02  -0.05
    13   7    -0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.01   0.01
    14   1    -0.09  -0.12  -0.20    -0.10  -0.12  -0.25     0.03   0.04   0.07
    15   1    -0.16  -0.20  -0.21    -0.17  -0.23  -0.25     0.07   0.08   0.08
    16   1     0.14  -0.04  -0.20     0.16  -0.04  -0.24    -0.04   0.00   0.08
    17   1     0.25  -0.06  -0.21     0.28  -0.08  -0.26    -0.06   0.02   0.07
    18   1     0.13  -0.01  -0.17    -0.14   0.02   0.20    -0.11   0.02   0.18
    19   1     0.22  -0.04  -0.18    -0.26   0.04   0.22    -0.20   0.02   0.18
    20   1    -0.03   0.13  -0.17     0.04  -0.13   0.21     0.03  -0.12   0.17
    21   1    -0.07   0.21  -0.18     0.06  -0.23   0.21     0.06  -0.22   0.19
    22   1    -0.06   0.12  -0.17     0.01  -0.04   0.08    -0.07   0.16  -0.26
    23   1    -0.08   0.21  -0.18     0.03  -0.06   0.07    -0.12   0.30  -0.28
    24   1    -0.09  -0.09  -0.17     0.04   0.03   0.07    -0.12  -0.12  -0.27
    25   1    -0.15  -0.16  -0.18     0.07   0.08   0.08    -0.22  -0.22  -0.28
    26   1     0.04   0.08   0.02    -0.02  -0.05  -0.01     0.07   0.13   0.03
    27   1    -0.06  -0.08  -0.01     0.02   0.03   0.00    -0.07  -0.11  -0.01
    28   1     0.01  -0.09   0.02    -0.00   0.02  -0.01     0.01  -0.15   0.03
    29   1    -0.02   0.10  -0.01     0.01  -0.04   0.00    -0.02   0.13  -0.01
    30   1     0.05  -0.08   0.02    -0.06   0.09  -0.02    -0.06   0.09  -0.02
    31   1    -0.04   0.09  -0.01     0.05  -0.09   0.01     0.05  -0.08   0.01
    32   1    -0.09   0.04   0.02     0.12  -0.06  -0.02     0.08  -0.04  -0.02
    33   1     0.10  -0.03  -0.01    -0.10   0.04   0.01    -0.09   0.03   0.01
    34   1    -0.11  -0.00   0.02    -0.14  -0.01   0.03     0.03   0.00  -0.01
    35   1     0.12  -0.01  -0.01     0.12  -0.00  -0.01    -0.04   0.01   0.00
    36   1     0.09   0.06   0.02     0.11   0.08   0.03    -0.05  -0.03  -0.01
    37   1    -0.09  -0.08  -0.01    -0.09  -0.08  -0.01     0.03   0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1425              1443.4477              1446.5816
 Red. masses --      1.4440                 1.4419                 1.4480
 Frc consts  --      1.7718                 1.7700                 1.7853
 IR Inten    --      3.8558                 3.8701                 0.0073
 RamAct Fr= 1--      0.2718                 0.2681                 0.9157
  Dep-P Fr= 1--      0.7497                 0.7499                 0.6072
  Dep-U Fr= 1--      0.8569                 0.8571                 0.7556
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0024
 Beta2  Fr= 1--      0.0388                 0.0383                 0.1153
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0554
 Gamma2 Fr= 1--      0.5165                 0.5175                 0.1377
 Delta2 Fr= 1--      0.3981                 0.3982                 0.3249
 Raman1 Fr= 1--       1.087                  1.073                  3.663
 ROA1   Fr= 1--      62.325                 62.420                 23.617
 CID1   Fr= 1--      57.332                 58.198                  6.448
 Raman2 Fr= 1--       0.466                  0.460                  1.384
 ROA2   Fr= 1--       9.212                  9.233                  0.706
 CID2   Fr= 1--      19.778                 20.088                  0.510
 Raman3 Fr= 1--       0.932                  0.919                  2.768
 ROA3   Fr= 1--      62.325                 62.420                 23.617
 CID3   Fr= 1--      66.904                 67.903                  8.533
 RC180  Fr= 1--       0.714                  0.714                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.03   0.02   0.09     0.03   0.01   0.08
     2   6    -0.01   0.01  -0.03    -0.02   0.03  -0.10    -0.02   0.02  -0.07
     3   7    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.02
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7     0.01   0.00  -0.01     0.01   0.01  -0.03     0.01   0.01  -0.02
     6   7     0.01  -0.01   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.02
     7   6     0.03  -0.02  -0.10     0.00  -0.00  -0.02    -0.02   0.01   0.07
     8   6     0.01   0.04   0.10     0.00   0.01   0.02    -0.01  -0.02  -0.07
     9   7     0.01   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.02
    10   7     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.01   0.00   0.02
    11   6     0.02   0.00  -0.06    -0.03  -0.00   0.08     0.03   0.00  -0.07
    12   6    -0.00  -0.02   0.06    -0.00   0.03  -0.08     0.00  -0.03   0.07
    13   7     0.00  -0.01  -0.02     0.00   0.01   0.02     0.00  -0.01  -0.02
    14   1    -0.11  -0.07  -0.19    -0.03  -0.03  -0.04     0.08   0.07   0.12
    15   1    -0.14  -0.27  -0.36    -0.04  -0.06  -0.07     0.10   0.18   0.23
    16   1    -0.14  -0.01   0.19    -0.02  -0.01   0.03     0.10  -0.01  -0.12
    17   1    -0.28   0.13   0.37    -0.04   0.03   0.07     0.19  -0.08  -0.23
    18   1    -0.08   0.04   0.12     0.09  -0.05  -0.14    -0.10   0.04   0.13
    19   1    -0.20  -0.00   0.23     0.23   0.02  -0.28    -0.22  -0.00   0.25
    20   1    -0.05   0.06  -0.11     0.06  -0.10   0.14    -0.05   0.10  -0.13
    21   1    -0.01   0.18  -0.22     0.03  -0.25   0.28    -0.03   0.22  -0.25
    22   1    -0.01  -0.03   0.06     0.01  -0.13   0.17     0.02  -0.11   0.13
    23   1     0.05  -0.06   0.11     0.15  -0.25   0.34     0.11  -0.20   0.25
    24   1    -0.03  -0.04  -0.06    -0.05  -0.11  -0.17    -0.06  -0.10  -0.13
    25   1    -0.08  -0.07  -0.12    -0.23  -0.16  -0.34    -0.18  -0.14  -0.26
    26   1     0.02   0.03   0.01     0.05   0.08   0.06     0.04   0.05   0.05
    27   1    -0.03  -0.05  -0.00    -0.05  -0.14  -0.01    -0.04  -0.14  -0.00
    28   1    -0.01   0.03  -0.03    -0.02   0.10  -0.06    -0.02   0.06  -0.05
    29   1    -0.01  -0.04   0.00     0.00  -0.15   0.01    -0.01  -0.14  -0.00
    30   1     0.03  -0.06   0.05    -0.04   0.07  -0.04     0.03  -0.06   0.05
    31   1    -0.07   0.07  -0.00     0.08  -0.10   0.00    -0.09   0.10   0.00
    32   1     0.06  -0.02  -0.03    -0.07   0.02   0.06     0.06  -0.02  -0.05
    33   1    -0.09   0.05   0.00     0.10  -0.07  -0.00    -0.11   0.08  -0.00
    34   1     0.10  -0.01  -0.06     0.02  -0.00  -0.02    -0.06   0.01   0.05
    35   1    -0.16  -0.02   0.01    -0.03  -0.02   0.00     0.13   0.03   0.00
    36   1     0.08   0.07   0.07     0.02   0.01   0.00    -0.04  -0.04  -0.05
    37   1    -0.15  -0.08  -0.01    -0.03  -0.03  -0.00     0.12   0.05  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.6718              1502.9195              1503.0272
 Red. masses --      1.0825                 1.0796                 1.0836
 Frc consts  --      1.4402                 1.4367                 1.4422
 IR Inten    --     44.5735                18.2203                 8.9762
 RamAct Fr= 1--      1.9536                 2.4568                 7.1758
  Dep-P Fr= 1--      0.3204                 0.7467                 0.1495
  Dep-U Fr= 1--      0.4854                 0.8550                 0.2602
 Alpha2 Fr= 1--      0.0188                 0.0001                 0.1111
 Beta2  Fr= 1--      0.1580                 0.3501                 0.3112
 AlphaG Fr= 1--      0.0532                 0.0005                 0.3141
 Gamma2 Fr= 1--      0.0359                 1.1156                 0.5042
 Delta2 Fr= 1--      0.1313                 0.8238                 0.4032
 Raman1 Fr= 1--       7.814                  9.827                 28.703
 ROA1   Fr= 1--       7.646                133.458                 61.308
 CID1   Fr= 1--       0.979                 13.581                  2.136
 Raman2 Fr= 1--       1.896                  4.201                  3.734
 ROA2   Fr= 1--      -0.190                 20.183                  8.876
 CID2   Fr= 1--      -0.100                  4.804                  2.377
 Raman3 Fr= 1--       3.793                  8.402                  7.468
 ROA3   Fr= 1--       7.646                133.458                 61.308
 CID3   Fr= 1--       2.016                 15.884                  8.210
 RC180  Fr= 1--      -0.029                  0.710                 -0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
     2   6     0.01  -0.01  -0.01    -0.01   0.02   0.02     0.01  -0.04  -0.04
     3   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.05   0.01  -0.04    -0.03   0.00  -0.03     0.01  -0.00   0.01
     8   6    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
     9   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00    -0.04   0.01  -0.03
    12   6     0.01  -0.03  -0.03    -0.02   0.04   0.04    -0.01   0.02   0.01
    13   7     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    14   1    -0.01  -0.05   0.03    -0.00   0.05  -0.03     0.00  -0.13   0.09
    15   1    -0.03   0.03   0.06     0.07   0.02  -0.00    -0.14   0.00   0.06
    16   1     0.29  -0.37   0.29     0.21  -0.26   0.20    -0.07   0.09  -0.07
    17   1     0.39   0.30   0.22     0.30   0.21   0.14    -0.10  -0.07  -0.04
    18   1     0.12   0.06   0.08     0.09   0.06   0.07     0.31   0.18   0.22
    19   1     0.05  -0.12   0.08     0.10  -0.11   0.02     0.21  -0.33   0.15
    20   1     0.11   0.29   0.19    -0.16  -0.40  -0.27    -0.08  -0.18  -0.12
    21   1    -0.30   0.12   0.15     0.42  -0.19  -0.19     0.20  -0.11  -0.06
    22   1    -0.13   0.08   0.10     0.19  -0.11  -0.13    -0.34   0.20   0.25
    23   1     0.08   0.13   0.08    -0.11  -0.21  -0.10     0.21   0.37   0.18
    24   1    -0.07  -0.01   0.05     0.01   0.00  -0.00     0.04   0.00  -0.03
    25   1     0.03  -0.06   0.06    -0.01   0.01  -0.01     0.02   0.06   0.01
    26   1    -0.01  -0.03   0.02    -0.00  -0.01  -0.00     0.00   0.00   0.02
    27   1     0.03   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
    28   1     0.00   0.01   0.00     0.00   0.00   0.01     0.00   0.02  -0.01
    29   1     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    30   1    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
    31   1    -0.00  -0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    32   1     0.01  -0.01   0.01    -0.01   0.00  -0.03     0.00  -0.00  -0.02
    33   1    -0.02  -0.01   0.00     0.04   0.02  -0.00     0.02   0.01  -0.00
    34   1     0.02   0.01  -0.01    -0.02  -0.00  -0.03    -0.01  -0.00   0.01
    35   1     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.00   0.00
    36   1    -0.01  -0.01   0.02     0.01   0.00   0.01    -0.02  -0.01   0.00
    37   1     0.00   0.04   0.00     0.00   0.02   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.3185              1503.5781              1503.9600
 Red. masses --      1.0792                 1.0792                 1.0798
 Frc consts  --      1.4370                 1.4375                 1.4391
 IR Inten    --      4.8342                21.8620                 6.1460
 RamAct Fr= 1--     12.7565                 3.3729                11.9363
  Dep-P Fr= 1--      0.7491                 0.7118                 0.6446
  Dep-U Fr= 1--      0.8566                 0.8316                 0.7839
 Alpha2 Fr= 1--      0.0002                 0.0022                 0.0227
 Beta2  Fr= 1--      1.8211                 0.4675                 1.5594
 AlphaG Fr= 1--      0.0005                 0.0065                 0.0635
 Gamma2 Fr= 1--     -5.4577                 1.2431                -3.7770
 Delta2 Fr= 1--     -1.3191                 0.9807                -0.6943
 Raman1 Fr= 1--      51.026                 13.492                 47.745
 ROA1   Fr= 1--    -566.149                150.719               -384.813
 CID1   Fr= 1--     -11.095                 11.171                 -8.060
 Raman2 Fr= 1--      21.854                  5.610                 18.713
 ROA2   Fr= 1--    -120.431                 21.989                -85.094
 CID2   Fr= 1--      -5.511                  3.919                 -4.547
 Raman3 Fr= 1--      43.707                 11.220                 37.426
 ROA3   Fr= 1--    -566.149                150.719               -384.813
 CID3   Fr= 1--     -12.953                 13.433                -10.282
 RC180  Fr= 1--       0.713                  0.663                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.01  -0.02   0.02    -0.04  -0.04   0.05
     2   6     0.01  -0.04  -0.03     0.00  -0.01  -0.00    -0.00   0.00   0.01
     3   7     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.01    -0.00  -0.00   0.01    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.00    -0.04  -0.04   0.04     0.01   0.01  -0.02
     9   7     0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.04  -0.01   0.04    -0.01   0.00  -0.01     0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.02     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    13   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.07  -0.04     0.01   0.54  -0.33    -0.00  -0.21   0.13
    15   1     0.09   0.02  -0.02     0.58   0.01  -0.24    -0.22  -0.00   0.10
    16   1     0.08  -0.11   0.08    -0.02   0.01  -0.01     0.04  -0.04   0.03
    17   1     0.13   0.08   0.05     0.02  -0.03  -0.05     0.03   0.04   0.04
    18   1    -0.37  -0.21  -0.26     0.13   0.07   0.08    -0.01  -0.01  -0.01
    19   1    -0.22   0.39  -0.20     0.09  -0.13   0.06    -0.02   0.02   0.00
    20   1    -0.06  -0.17  -0.11     0.03   0.07   0.04     0.02   0.05   0.03
    21   1     0.17  -0.04  -0.11    -0.07   0.02   0.04    -0.06   0.04   0.01
    22   1    -0.30   0.18   0.21    -0.05   0.03   0.04     0.06  -0.04  -0.04
    23   1     0.17   0.34   0.14     0.02   0.07   0.01    -0.05  -0.03  -0.07
    24   1     0.06   0.00  -0.04     0.21   0.03  -0.13     0.55   0.08  -0.34
    25   1     0.02   0.08   0.00    -0.02   0.22  -0.09    -0.07   0.59  -0.25
    26   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00   0.02
    27   1     0.03   0.01   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    28   1    -0.00  -0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.01  -0.02
    29   1    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    30   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    31   1     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    32   1    -0.01   0.01   0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    33   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    34   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.02     0.01   0.00   0.01
    35   1     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    36   1    -0.02  -0.01   0.02     0.00  -0.00   0.02     0.00   0.00  -0.01
    37   1    -0.00   0.03   0.00     0.01   0.02   0.00    -0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1643.7687              1657.2017              1657.7968
 Red. masses --      1.0765                 1.0784                 1.0781
 Frc consts  --      1.7137                 1.7450                 1.7457
 IR Inten    --     84.6136                39.8373                41.2688
 RamAct Fr= 1--      0.0130                 6.0250                 5.6930
  Dep-P Fr= 1--      0.7477                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8557                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0019                 0.8607                 0.8133
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--      0.0068                 3.6328                 3.1088
 Delta2 Fr= 1--      0.0084                 5.2080                 4.8638
 Raman1 Fr= 1--       0.052                 24.100                 22.772
 ROA1   Fr= 1--       0.923                515.408                454.084
 CID1   Fr= 1--      17.704                 21.386                 19.940
 Raman2 Fr= 1--       0.022                 10.329                  9.759
 ROA2   Fr= 1--       0.096                 45.524                 35.700
 CID2   Fr= 1--       4.315                  4.408                  3.658
 Raman3 Fr= 1--       0.045                 20.657                 19.519
 ROA3   Fr= 1--       0.923                515.408                454.084
 CID3   Fr= 1--      20.690                 24.951                 23.264
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     3   7    -0.02   0.01  -0.02    -0.02   0.02  -0.02    -0.01   0.01  -0.01
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.02  -0.02  -0.02    -0.02   0.01   0.02    -0.02   0.02   0.02
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     9   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.03  -0.02
    10   7     0.02   0.01  -0.02    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.01   0.01
    14   1     0.01   0.02  -0.00    -0.01  -0.01   0.00     0.02  -0.02   0.03
    15   1     0.00  -0.01  -0.01     0.00   0.01   0.01    -0.04  -0.00   0.01
    16   1    -0.02   0.01  -0.00     0.01  -0.00   0.00     0.00   0.02  -0.03
    17   1     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.03  -0.02  -0.01
    18   1    -0.02  -0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.01  -0.01
    19   1     0.01   0.01  -0.01    -0.01   0.02  -0.01    -0.02   0.01   0.00
    20   1     0.00  -0.02   0.00     0.02   0.00   0.02     0.00   0.01   0.01
    21   1     0.01   0.01  -0.01    -0.02   0.02   0.00    -0.01   0.00   0.00
    22   1     0.01  -0.02  -0.00    -0.02  -0.01   0.02     0.01  -0.01  -0.01
    23   1    -0.01   0.00  -0.01     0.01   0.03   0.00    -0.01  -0.01  -0.01
    24   1     0.02   0.01  -0.00     0.02  -0.01  -0.03    -0.00   0.01   0.01
    25   1    -0.01   0.00  -0.01    -0.00   0.03  -0.01    -0.01  -0.02  -0.00
    26   1     0.06   0.08   0.27    -0.04  -0.05  -0.16     0.07   0.10   0.31
    27   1     0.28  -0.04   0.02    -0.17   0.02  -0.01     0.34  -0.02   0.03
    28   1     0.03  -0.11   0.28     0.04  -0.13   0.36     0.01  -0.04   0.12
    29   1     0.29  -0.07   0.02     0.37  -0.12   0.03     0.12  -0.04   0.01
    30   1     0.04  -0.10   0.29     0.05  -0.13   0.36    -0.01   0.03  -0.10
    31   1    -0.19  -0.24   0.02    -0.23  -0.33   0.03     0.05   0.09  -0.01
    32   1    -0.10   0.03   0.26     0.05  -0.01  -0.13     0.12  -0.03  -0.31
    33   1    -0.19  -0.19   0.02     0.10   0.10  -0.01     0.25   0.23  -0.03
    34   1    -0.10   0.01   0.27     0.09  -0.01  -0.24     0.12  -0.02  -0.33
    35   1    -0.10   0.26   0.02     0.11  -0.23  -0.02     0.15  -0.33  -0.03
    36   1     0.07   0.07   0.26    -0.07  -0.07  -0.25     0.08   0.08   0.30
    37   1    -0.08   0.27   0.02     0.05  -0.27  -0.02    -0.08   0.32   0.03
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.4543              1667.5236              1668.0859
 Red. masses --      1.0788                 1.0780                 1.0776
 Frc consts  --      1.7504                 1.7660                 1.7667
 IR Inten    --      0.3598                31.2951                32.9982
 RamAct Fr= 1--      3.1007                 4.9983                 4.7423
  Dep-P Fr= 1--      0.7494                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4428                 0.7140                 0.6775
 AlphaG Fr= 1--     -0.0040                -0.0000                -0.0000
 Gamma2 Fr= 1--     -9.7392                 4.9646                 4.7572
 Delta2 Fr= 1--     -3.7833                 0.1575                 0.0190
 Raman1 Fr= 1--      12.403                 19.993                 18.969
 ROA1   Fr= 1--   -1056.028                481.642                457.295
 CID1   Fr= 1--     -85.144                 24.090                 24.107
 Raman2 Fr= 1--       5.313                  8.568                  8.130
 ROA2   Fr= 1--    -203.474                117.891                114.020
 CID2   Fr= 1--     -38.296                 13.759                 14.025
 Raman3 Fr= 1--      10.626                 17.137                 16.259
 ROA3   Fr= 1--   -1056.028                481.642                457.295
 CID3   Fr= 1--     -99.377                 28.106                 28.125
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.01
     3   7     0.02  -0.01   0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
     4  45    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.03  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.01  -0.01  -0.01    -0.01   0.02   0.02    -0.02   0.02   0.02
     7   6     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
     9   7     0.00   0.02   0.02    -0.00  -0.02  -0.02     0.00   0.02   0.02
    10   7    -0.02  -0.01   0.02     0.01   0.00  -0.01     0.03   0.01  -0.03
    11   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.01  -0.01  -0.00
    15   1     0.00  -0.01  -0.01    -0.01   0.01   0.01     0.00   0.00   0.00
    16   1    -0.01  -0.01   0.01     0.01   0.01  -0.02     0.01   0.00  -0.01
    17   1    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00  -0.00
    18   1     0.00  -0.02  -0.02    -0.01  -0.00  -0.01    -0.01   0.01   0.02
    19   1    -0.00   0.02  -0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    20   1     0.02   0.00   0.02     0.01  -0.01   0.01    -0.01  -0.01  -0.01
    21   1    -0.02  -0.00   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    22   1     0.01   0.01  -0.02     0.00   0.02  -0.01     0.01   0.00  -0.01
    23   1    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.01   0.02    -0.01  -0.01   0.00    -0.00   0.02   0.02
    25   1     0.01  -0.01   0.02     0.01  -0.00   0.01     0.01  -0.01   0.01
    26   1     0.06   0.06   0.32    -0.03  -0.03  -0.18     0.07   0.07   0.34
    27   1     0.33  -0.04   0.03    -0.18   0.03  -0.02     0.36  -0.03   0.03
    28   1    -0.03   0.07  -0.29    -0.04   0.10  -0.36    -0.01   0.03  -0.08
    29   1    -0.29   0.07  -0.03    -0.36   0.11  -0.03    -0.08   0.04  -0.01
    30   1     0.02  -0.07   0.28     0.03  -0.10   0.37    -0.01   0.01  -0.03
    31   1    -0.18  -0.23   0.03    -0.22  -0.32   0.03     0.01   0.03  -0.00
    32   1     0.09  -0.01  -0.31    -0.03   0.00   0.12    -0.11   0.02   0.39
    33   1     0.23   0.23  -0.03    -0.08  -0.09   0.01    -0.30  -0.27   0.03
    34   1    -0.05   0.02   0.21     0.07  -0.01  -0.23     0.08  -0.02  -0.32
    35   1    -0.08   0.20   0.02     0.11  -0.22  -0.02     0.14  -0.31  -0.03
    36   1    -0.03  -0.05  -0.23     0.06   0.07   0.29    -0.05  -0.06  -0.28
    37   1     0.07  -0.23  -0.02    -0.06   0.30   0.02     0.07  -0.29  -0.02
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0024              3071.1302              3071.5942
 Red. masses --      1.0632                 1.0632                 1.0630
 Frc consts  --      5.9078                 5.9081                 5.9089
 IR Inten    --      5.9240                 5.1293                 5.3972
 RamAct Fr= 1--    191.7706               254.2171               244.9450
  Dep-P Fr= 1--      0.0432                 0.0325                 0.0342
  Dep-U Fr= 1--      0.0827                 0.0629                 0.0662
 Alpha2 Fr= 1--      3.8502                 5.2345                 5.0230
 Beta2  Fr= 1--      2.6442                 2.6664                 2.7014
 AlphaG Fr= 1--      0.1890                 0.2594                 0.2372
 Gamma2 Fr= 1--     10.7091                 0.7011                 2.5593
 Delta2 Fr= 1--      8.8800                 2.8638                 3.9725
 Raman1 Fr= 1--     767.082               1016.868                979.780
 ROA1   Fr= 1--    1312.237                158.951                372.815
 CID1   Fr= 1--       1.711                  0.156                  0.381
 Raman2 Fr= 1--      31.731                 31.997                 32.417
 ROA2   Fr= 1--     185.979                 -6.083                 29.643
 CID2   Fr= 1--       5.861                 -0.190                  0.914
 Raman3 Fr= 1--      63.462                 63.995                 64.834
 ROA3   Fr= 1--    1312.237                158.951                372.815
 CID3   Fr= 1--      20.678                  2.484                  5.750
 RC180  Fr= 1--      -0.835                 -0.874                 -0.868
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.03
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.02   0.03     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.01   0.03  -0.03     0.00   0.00  -0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.03   0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.04  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.01   0.01    -0.34   0.10   0.11    -0.01   0.00   0.00
    15   1     0.01  -0.04   0.02     0.16  -0.49   0.26     0.00  -0.01   0.01
    16   1    -0.02  -0.02  -0.01    -0.22  -0.30  -0.12    -0.00  -0.00  -0.00
    17   1    -0.01   0.04  -0.02    -0.18   0.51  -0.28    -0.00   0.01  -0.00
    18   1    -0.08   0.33  -0.11     0.01  -0.03   0.01     0.00  -0.00   0.00
    19   1    -0.34  -0.38  -0.26     0.03   0.03   0.02     0.00   0.00   0.00
    20   1    -0.38   0.04   0.12     0.03  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.36   0.42   0.28    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00
    22   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.27   0.25   0.11
    23   1    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.51   0.11   0.27
    24   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.15   0.34  -0.12
    25   1     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.52  -0.10  -0.27
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    36   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3076.0315              3076.1921              3076.4755
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9113                 5.9121                 5.9131
 IR Inten    --      3.5265                11.1498                10.0478
 RamAct Fr= 1--     14.1563                65.6353                59.1354
  Dep-P Fr= 1--      0.6921                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8180                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0144                 0.0001                 0.0000
 Beta2  Fr= 1--      1.9300                 9.3758                 8.4478
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0000
 Gamma2 Fr= 1--     -2.0865                -9.9734                -9.1055
 Delta2 Fr= 1--     -1.8333                -8.7684                -7.8424
 Raman1 Fr= 1--      56.625                262.541                236.542
 ROA1   Fr= 1--    -258.974              -1238.035              -1125.088
 CID1   Fr= 1--      -4.573                 -4.716                 -4.756
 Raman2 Fr= 1--      23.160                112.509                101.374
 ROA2   Fr= 1--     -35.411               -169.215               -155.793
 CID2   Fr= 1--      -1.529                 -1.504                 -1.537
 Raman3 Fr= 1--      46.320                225.018                202.748
 ROA3   Fr= 1--    -258.974              -1238.035              -1125.088
 CID3   Fr= 1--      -5.591                 -5.502                 -5.549
 RC180  Fr= 1--       0.636                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
     2   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.01   0.04   0.03
     3   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.00   0.02     0.03  -0.00   0.03    -0.01   0.00  -0.01
     8   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.00   0.00  -0.01
     9   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.03  -0.01   0.03    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    12   6    -0.01   0.03   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.24  -0.07  -0.08     0.40  -0.12  -0.13    -0.08   0.02   0.02
    15   1    -0.07   0.22  -0.12    -0.12   0.36  -0.20     0.02  -0.07   0.04
    16   1    -0.15  -0.20  -0.07    -0.24  -0.32  -0.12     0.05   0.07   0.03
    17   1    -0.07   0.21  -0.11    -0.11   0.33  -0.18     0.02  -0.07   0.04
    18   1    -0.10   0.41  -0.13     0.06  -0.26   0.08     0.02  -0.07   0.02
    19   1    -0.25  -0.29  -0.20     0.16   0.18   0.13     0.04   0.05   0.03
    20   1     0.38  -0.04  -0.12    -0.25   0.03   0.08    -0.06   0.01   0.02
    21   1    -0.22  -0.26  -0.18     0.15   0.17   0.12     0.04   0.04   0.03
    22   1    -0.07  -0.07  -0.03    -0.02  -0.02  -0.01    -0.35  -0.33  -0.15
    23   1     0.09  -0.02  -0.05     0.03  -0.01  -0.01     0.42  -0.08  -0.22
    24   1    -0.04   0.09  -0.03    -0.02   0.03  -0.01    -0.19   0.43  -0.14
    25   1     0.09  -0.02  -0.05     0.03  -0.01  -0.02     0.41  -0.08  -0.22
    26   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3116.6589              3116.7471              3116.9752
 Red. masses --      1.1078                 1.1079                 1.1080
 Frc consts  --      6.3401                 6.3408                 6.3426
 IR Inten    --     11.5299                10.4188                 1.2212
 RamAct Fr= 1--    124.3819               130.0609               173.1879
  Dep-P Fr= 1--      0.7331                 0.6152                 0.1267
  Dep-U Fr= 1--      0.8460                 0.7618                 0.2250
 Alpha2 Fr= 1--      0.0359                 0.3216                 2.8385
 Beta2  Fr= 1--     17.5378                16.5127                 6.4939
 AlphaG Fr= 1--     -0.0225                -0.2012                -1.8189
 Gamma2 Fr= 1--    -20.1364                -8.6371                98.1790
 Delta2 Fr= 1--    -32.4782               -22.9931                64.9539
 Raman1 Fr= 1--     497.528                520.244                692.752
 ROA1   Fr= 1--   -2972.400              -1564.942              11503.710
 CID1   Fr= 1--      -5.974                 -3.008                 16.606
 Raman2 Fr= 1--     210.454                198.152                 77.927
 ROA2   Fr= 1--    -223.449                -23.346               1836.665
 CID2   Fr= 1--      -1.062                 -0.118                 23.569
 Raman3 Fr= 1--     420.908                396.304                155.854
 ROA3   Fr= 1--   -2972.400              -1564.942              11503.710
 CID3   Fr= 1--      -7.062                 -3.949                 73.811
 RC180  Fr= 1--       0.692                  0.524                 -0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.03   0.00     0.04  -0.04   0.00
     2   6     0.01   0.00   0.00    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.04  -0.00    -0.01  -0.05  -0.00     0.01   0.03   0.00
     8   6    -0.03   0.02   0.00    -0.04   0.03   0.00     0.02  -0.02  -0.00
     9   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.01   0.05  -0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    12   6    -0.05  -0.01   0.00     0.03   0.01  -0.00    -0.03  -0.01   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.30  -0.08  -0.10     0.38  -0.10  -0.13    -0.24   0.07   0.08
    15   1     0.05  -0.18   0.10     0.07  -0.22   0.12    -0.04   0.14  -0.08
    16   1     0.19   0.25   0.10     0.24   0.32   0.13    -0.15  -0.20  -0.08
    17   1    -0.06   0.17  -0.10    -0.08   0.22  -0.13     0.05  -0.14   0.08
    18   1     0.12  -0.45   0.15    -0.06   0.22  -0.08     0.05  -0.21   0.07
    19   1    -0.18  -0.20  -0.14     0.09   0.10   0.07    -0.09  -0.09  -0.07
    20   1     0.47  -0.06  -0.16    -0.23   0.03   0.08     0.22  -0.03  -0.07
    21   1     0.17   0.21   0.15    -0.09  -0.10  -0.07     0.08   0.10   0.07
    22   1    -0.03  -0.03  -0.02     0.23   0.23   0.11     0.32   0.32   0.15
    23   1    -0.03   0.01   0.02     0.19  -0.04  -0.10     0.26  -0.06  -0.14
    24   1     0.02  -0.05   0.02    -0.13   0.30  -0.11    -0.18   0.42  -0.15
    25   1     0.03  -0.01  -0.02    -0.19   0.03   0.10    -0.27   0.05   0.14
    26   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3127.2569              3127.3503              3127.6214
 Red. masses --      1.1101                 1.1102                 1.1101
 Frc consts  --      6.3967                 6.3972                 6.3980
 IR Inten    --      1.0789                 3.9465                 4.4449
 RamAct Fr= 1--     67.2981                43.1483                38.1175
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      9.6140                 6.1640                 5.4453
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--    -43.7149               -28.0783               -24.9883
 Delta2 Fr= 1--     -4.8580                -3.1380                -2.7861
 Raman1 Fr= 1--     269.192                172.593                152.470
 ROA1   Fr= 1--   -4352.090              -2795.931              -2488.030
 CID1   Fr= 1--     -16.167                -16.200                -16.318
 Raman2 Fr= 1--     115.368                 73.968                 65.344
 ROA2   Fr= 1--   -1010.294               -648.775               -577.431
 CID2   Fr= 1--      -8.757                 -8.771                 -8.837
 Raman3 Fr= 1--     230.736                147.936                130.688
 ROA3   Fr= 1--   -4352.090              -2795.931              -2488.030
 CID3   Fr= 1--     -18.862                -18.900                -19.038
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.05   0.04   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.06  -0.02   0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.02   0.00     0.01   0.06  -0.01    -0.00  -0.01   0.00
     8   6     0.02  -0.02   0.00    -0.05   0.04  -0.01     0.01  -0.01   0.00
     9   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.02  -0.06  -0.01    -0.01  -0.02  -0.00     0.00   0.01   0.00
    12   6    -0.06  -0.02  -0.01    -0.02  -0.01  -0.00     0.01   0.00   0.00
    13   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.16   0.04   0.05     0.42  -0.11  -0.14    -0.05   0.01   0.02
    15   1    -0.05   0.15  -0.08     0.13  -0.40   0.23    -0.02   0.05  -0.03
    16   1     0.10   0.13   0.05    -0.26  -0.34  -0.14     0.03   0.04   0.02
    17   1    -0.05   0.14  -0.08     0.14  -0.39   0.22    -0.02   0.05  -0.03
    18   1    -0.11   0.42  -0.15    -0.04   0.15  -0.05     0.01  -0.04   0.01
    19   1     0.28   0.31   0.23     0.10   0.11   0.08    -0.03  -0.03  -0.02
    20   1     0.43  -0.05  -0.14     0.15  -0.02  -0.05    -0.05   0.01   0.02
    21   1     0.26   0.32   0.22     0.09   0.11   0.08    -0.03  -0.03  -0.02
    22   1     0.02   0.01   0.01     0.05   0.05   0.02     0.32   0.32   0.15
    23   1     0.02  -0.00  -0.01     0.06  -0.01  -0.04     0.43  -0.10  -0.24
    24   1     0.01  -0.02   0.01     0.02  -0.06   0.02     0.18  -0.42   0.15
    25   1     0.02  -0.00  -0.01     0.06  -0.01  -0.03     0.43  -0.08  -0.24
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1     0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    37   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.9158              3432.0260              3433.1910
 Red. masses --      1.0523                 1.0523                 1.0528
 Frc consts  --      7.3022                 7.3027                 7.3109
 IR Inten    --     50.8998                48.8915                72.3742
 RamAct Fr= 1--      9.9155                 9.0453                 9.4376
  Dep-P Fr= 1--      0.6695                 0.7471                 0.7500
  Dep-U Fr= 1--      0.8020                 0.8552                 0.8571
 Alpha2 Fr= 1--      0.0142                 0.0005                 0.0000
 Beta2  Fr= 1--      1.3254                 1.2893                 1.3482
 AlphaG Fr= 1--      0.0028                 0.0004                -0.0000
 Gamma2 Fr= 1--     11.7192                11.5171                -2.6831
 Delta2 Fr= 1--      0.7481                 0.1666                 0.1512
 Raman1 Fr= 1--      39.662                 36.181                 37.750
 ROA1   Fr= 1--    1148.985               1110.975               -252.742
 CID1   Fr= 1--      28.969                 30.706                 -6.695
 Raman2 Fr= 1--      15.904                 15.471                 16.179
 ROA2   Fr= 1--     275.277                275.078                -65.604
 CID2   Fr= 1--      17.308                 17.780                 -4.055
 Raman3 Fr= 1--      31.809                 30.943                 32.357
 ROA3   Fr= 1--    1148.985               1110.975               -252.742
 CID3   Fr= 1--      36.121                 35.904                 -7.811
 RC180  Fr= 1--       0.604                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   7    -0.03   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.01  -0.02
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00   0.00    -0.03   0.00  -0.02    -0.02   0.00  -0.01
     6   7     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00   0.01   0.01    -0.01   0.02   0.02     0.00  -0.00  -0.00
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.01   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.02   0.02    -0.01  -0.01   0.01     0.02   0.02  -0.02
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    22   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.05   0.02   0.01     0.41  -0.13  -0.08     0.26  -0.08  -0.05
    27   1     0.01  -0.01  -0.04    -0.05   0.07   0.37    -0.03   0.04   0.23
    28   1     0.46  -0.04  -0.09    -0.06   0.01   0.01     0.48  -0.04  -0.09
    29   1    -0.08  -0.05   0.41     0.01   0.01  -0.05    -0.08  -0.05   0.41
    30   1     0.24   0.22   0.06     0.21   0.19   0.05    -0.35  -0.32  -0.09
    31   1    -0.06  -0.01  -0.28    -0.05  -0.01  -0.25     0.09   0.01   0.40
    32   1     0.10   0.14   0.03    -0.22  -0.32  -0.07    -0.08  -0.11  -0.03
    33   1     0.00  -0.03  -0.15    -0.00   0.07   0.34    -0.00   0.02   0.11
    34   1    -0.08   0.35  -0.07     0.03  -0.15   0.03     0.01  -0.07   0.01
    35   1    -0.03  -0.06   0.31     0.01   0.03  -0.13     0.01   0.01  -0.07
    36   1     0.10  -0.22   0.05     0.14  -0.29   0.06    -0.02   0.05  -0.01
    37   1    -0.04   0.02  -0.22    -0.05   0.03  -0.28     0.01  -0.00   0.03
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.3452              3433.4408              3435.2884
 Red. masses --      1.0530                 1.0528                 1.0527
 Frc consts  --      7.3130                 7.3126                 7.3198
 IR Inten    --     16.8195                53.0647                 0.1413
 RamAct Fr= 1--     18.7929                12.5779               474.2267
  Dep-P Fr= 1--      0.7433                 0.7190                 0.0025
  Dep-U Fr= 1--      0.8527                 0.8366                 0.0051
 Alpha2 Fr= 1--      0.0021                 0.0067                10.4760
 Beta2  Fr= 1--      2.6709                 1.7537                 0.4011
 AlphaG Fr= 1--      0.0005                 0.0023                 2.7368
 Gamma2 Fr= 1--     -5.7012                -4.0075               -11.1069
 Delta2 Fr= 1--     -0.0577                -0.2199                -1.0360
 Raman1 Fr= 1--      75.172                 50.312               1896.907
 ROA1   Fr= 1--    -549.158               -391.753              -1099.411
 CID1   Fr= 1--      -7.305                 -7.787                 -0.580
 Raman2 Fr= 1--      32.051                 21.044                  4.814
 ROA2   Fr= 1--    -136.366                -94.420               -258.277
 CID2   Fr= 1--      -4.255                 -4.487                -53.657
 Raman3 Fr= 1--      64.102                 42.089                  9.627
 ROA3   Fr= 1--    -549.158               -391.753              -1099.411
 CID3   Fr= 1--      -8.567                 -9.308               -114.200
 RC180  Fr= 1--       0.705                  0.673                 -0.990
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   7    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.02  -0.00   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.00  -0.02     0.00  -0.00   0.00    -0.02   0.00  -0.01
     6   7     0.00  -0.00  -0.00     0.01  -0.03  -0.03     0.01  -0.02  -0.01
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   7     0.01  -0.03  -0.02     0.00  -0.01  -0.01    -0.01   0.02   0.02
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    14   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1     0.43  -0.14  -0.08    -0.01   0.00   0.00     0.29  -0.09  -0.06
    27   1    -0.05   0.07   0.38     0.00  -0.00  -0.02    -0.03   0.04   0.25
    28   1     0.01  -0.00  -0.00    -0.10   0.01   0.02    -0.29   0.02   0.05
    29   1    -0.00  -0.00   0.01     0.02   0.01  -0.10     0.04   0.03  -0.24
    30   1     0.17   0.16   0.04    -0.05  -0.04  -0.01    -0.22  -0.20  -0.06
    31   1    -0.04  -0.00  -0.21     0.01   0.00   0.04     0.05   0.01   0.24
    32   1     0.14   0.20   0.05    -0.25  -0.36  -0.08     0.18   0.26   0.06
    33   1     0.00  -0.05  -0.22    -0.00   0.08   0.37     0.00  -0.06  -0.26
    34   1    -0.01   0.05  -0.01    -0.12   0.54  -0.10    -0.07   0.30  -0.06
    35   1    -0.00  -0.01   0.04    -0.04  -0.09   0.46    -0.02  -0.05   0.25
    36   1    -0.20   0.43  -0.09    -0.09   0.20  -0.04     0.14  -0.30   0.06
    37   1     0.08  -0.04   0.41     0.04  -0.02   0.18    -0.05   0.03  -0.27
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.5121              3480.6768              3481.2609
 Red. masses --      1.0928                 1.0928                 1.0928
 Frc consts  --      7.8000                 7.8001                 7.8028
 IR Inten    --      5.8664                11.4175                17.3769
 RamAct Fr= 1--      4.1993                 1.9412                11.2458
  Dep-P Fr= 1--      0.7492                 0.7497                 0.7485
  Dep-U Fr= 1--      0.8566                 0.8570                 0.8562
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0003
 Beta2  Fr= 1--      0.5995                 0.2773                 1.6047
 AlphaG Fr= 1--     -0.0004                -0.0000                -0.0018
 Gamma2 Fr= 1--     -7.6399                -4.2715                -0.9676
 Delta2 Fr= 1--      0.8470                -0.0336                11.8032
 Raman1 Fr= 1--      16.797                  7.765                 44.983
 ROA1   Fr= 1--    -706.328               -411.137                284.816
 CID1   Fr= 1--     -42.050                -52.948                  6.332
 Raman2 Fr= 1--       7.194                  3.327                 19.256
 ROA2   Fr= 1--    -190.135               -102.247               -117.647
 CID2   Fr= 1--     -26.428                -30.732                 -6.110
 Raman3 Fr= 1--      14.389                  6.654                 38.513
 ROA3   Fr= 1--    -706.328               -411.137                284.816
 CID3   Fr= 1--     -49.089                -61.787                  7.395
 RC180  Fr= 1--       0.713                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.03   0.00  -0.04    -0.02  -0.00   0.02    -0.03  -0.00   0.03
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.02   0.01   0.02    -0.02   0.01   0.03    -0.01   0.01   0.02
     6   7     0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.02   0.02
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.03     0.01  -0.01   0.02    -0.01   0.02  -0.02
    10   7     0.00   0.00   0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.03  -0.02  -0.04
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    26   1     0.23  -0.07  -0.03     0.31  -0.10  -0.05     0.19  -0.06  -0.03
    27   1     0.02  -0.04  -0.28     0.03  -0.06  -0.38     0.02  -0.03  -0.22
    28   1    -0.40   0.03   0.06     0.20  -0.02  -0.03     0.32  -0.03  -0.05
    29   1    -0.06  -0.05   0.45     0.03   0.03  -0.23     0.05   0.04  -0.36
    30   1     0.25   0.23   0.05    -0.02  -0.02  -0.00     0.31   0.28   0.06
    31   1     0.07  -0.00   0.39    -0.01   0.00  -0.03     0.08  -0.00   0.47
    32   1    -0.03  -0.05  -0.01     0.21   0.30   0.05    -0.01  -0.01  -0.00
    33   1     0.00  -0.01  -0.07    -0.01   0.07   0.42     0.00  -0.00  -0.01
    34   1    -0.02   0.08  -0.01     0.06  -0.29   0.04    -0.04   0.18  -0.03
    35   1     0.01   0.01  -0.10    -0.03  -0.05   0.34     0.02   0.03  -0.22
    36   1    -0.12   0.26  -0.04    -0.09   0.19  -0.03     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.32    -0.04   0.01  -0.24     0.05  -0.02   0.30
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.4209              3482.6859              3483.3025
 Red. masses --      1.0927                 1.0926                 1.0920
 Frc consts  --      7.8030                 7.8077                 7.8068
 IR Inten    --     22.6433               144.8284                 0.2839
 RamAct Fr= 1--      9.0162                 0.2399               131.7479
  Dep-P Fr= 1--      0.7497                 0.6123                 0.6970
  Dep-U Fr= 1--      0.8569                 0.7595                 0.8214
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.1220
 Beta2  Fr= 1--      1.2877                 0.0304                18.0369
 AlphaG Fr= 1--     -0.0006                -0.0014                -0.5991
 Gamma2 Fr= 1--      2.0967                 0.0487                21.0521
 Delta2 Fr= 1--     10.9338                -0.0299               -29.8857
 Raman1 Fr= 1--      36.065                  0.960                526.992
 ROA1   Fr= 1--     551.163                  3.715               1064.659
 CID1   Fr= 1--      15.283                  3.872                  2.020
 Raman2 Fr= 1--      15.452                  0.364                216.443
 ROA2   Fr= 1--     -37.149                  1.407                744.335
 CID2   Fr= 1--      -2.404                  3.862                  3.439
 Raman3 Fr= 1--      30.905                  0.729                432.885
 ROA3   Fr= 1--     551.163                  3.715               1064.659
 CID3   Fr= 1--      17.834                  5.098                  2.459
 RC180  Fr= 1--       0.714                  0.519                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   7    -0.01  -0.00   0.01     0.02   0.00  -0.02     0.02   0.00  -0.02
     4  45    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.02  -0.01  -0.03     0.02  -0.01  -0.02    -0.02   0.01   0.02
     6   7     0.00  -0.03   0.03    -0.00   0.02  -0.03     0.00  -0.02   0.03
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.03
    10   7    -0.01  -0.03  -0.03    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.01    -0.02  -0.01  -0.03     0.02   0.01   0.02
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.01  -0.00
    18   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.30   0.10   0.04    -0.22   0.07   0.03     0.22  -0.07  -0.03
    27   1    -0.03   0.05   0.36    -0.02   0.05   0.29     0.02  -0.04  -0.28
    28   1     0.10  -0.01  -0.01    -0.22   0.02   0.03    -0.23   0.02   0.03
    29   1     0.01   0.01  -0.11    -0.04  -0.03   0.26    -0.04  -0.03   0.28
    30   1     0.07   0.07   0.01     0.19   0.17   0.03    -0.17  -0.15  -0.03
    31   1     0.02  -0.00   0.11     0.05  -0.00   0.31    -0.05   0.00  -0.28
    32   1     0.20   0.29   0.05     0.15   0.21   0.04     0.16   0.23   0.04
    33   1    -0.01   0.07   0.40    -0.01   0.05   0.31    -0.01   0.06   0.34
    34   1    -0.07   0.33  -0.05     0.06  -0.29   0.04    -0.06   0.26  -0.04
    35   1     0.04   0.06  -0.38    -0.03  -0.05   0.37     0.03   0.05  -0.33
    36   1    -0.11   0.24  -0.04     0.11  -0.24   0.04     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.30     0.05  -0.02   0.31     0.05  -0.02   0.34

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2615.131202615.504363783.53931
           X            0.99999   0.00483  -0.00000
           Y           -0.00483   0.99999  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03312     0.03312     0.02289
 Rotational constants (GHZ):           0.69011     0.69002     0.47700
 Zero-point vibrational energy     925907.1 (Joules/Mol)
                                  221.29712 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.10   118.20   128.94   209.26   210.18
          (Kelvin)            240.74   313.12   316.45   324.91   362.40
                              416.54   417.44   448.76   477.78   478.85
                              578.84   579.97   580.63   664.81   665.82
                              727.66   752.77   803.41   804.57   972.86
                              973.22  1027.22  1079.69  1079.91  1097.59
                             1245.36  1245.43  1248.00  1252.85  1255.61
                             1255.78  1413.26  1414.68  1414.99  1434.21
                             1434.86  1452.72  1507.14  1507.27  1511.86
                             1594.83  1608.13  1609.00  1685.92  1686.46
                             1716.53  1763.58  1764.16  1794.26  1857.63
                             1857.67  1864.70  1916.23  1916.56  1930.01
                             1936.97  1940.13  1940.20  2020.80  2022.24
                             2022.50  2076.36  2076.80  2081.31  2162.01
                             2162.37  2162.52  2162.94  2163.31  2163.86
                             2365.02  2384.34  2385.20  2387.58  2399.19
                             2400.00  4418.49  4418.67  4419.34  4425.72
                             4425.95  4426.36  4484.18  4484.30  4484.63
                             4499.43  4499.56  4499.95  4937.76  4937.92
                             4939.60  4939.82  4939.96  4942.61  5007.68
                             5007.92  5008.76  5008.99  5010.81  5011.70
 
 Zero-point correction=                           0.352659 (Hartree/Particle)
 Thermal correction to Energy=                    0.367690
 Thermal correction to Enthalpy=                  0.368634
 Thermal correction to Gibbs Free Energy=         0.312034
 Sum of electronic and zero-point Energies=           -681.282277
 Sum of electronic and thermal Energies=              -681.267247
 Sum of electronic and thermal Enthalpies=            -681.266303
 Sum of electronic and thermal Free Energies=         -681.322903
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.729             60.543            119.125
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.626
 Vibrational            228.951             54.582             44.679
 Vibration     1          0.600              1.963              3.908
 Vibration     2          0.600              1.961              3.839
 Vibration     3          0.602              1.957              3.668
 Vibration     4          0.617              1.908              2.731
 Vibration     5          0.617              1.907              2.723
 Vibration     6          0.624              1.883              2.465
 Vibration     7          0.646              1.814              1.979
 Vibration     8          0.647              1.811              1.960
 Vibration     9          0.650              1.802              1.912
 Vibration    10          0.664              1.760              1.717
 Vibration    11          0.686              1.693              1.477
 Vibration    12          0.686              1.692              1.473
 Vibration    13          0.700              1.651              1.352
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.715              1.610              1.246
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.769              1.462              0.950
 Vibration    19          0.820              1.334              0.760
 Vibration    20          0.820              1.333              0.758
 Vibration    21          0.861              1.237              0.644
 Vibration    22          0.878              1.199              0.603
 Vibration    23          0.914              1.121              0.527
 Vibration    24          0.915              1.120              0.525
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.298277-143       -143.525381       -330.479402
 Total V=0       0.485893D+19         18.686540         43.027349
 Vib (Bot)       0.874804-158       -158.058089       -363.942200
 Vib (Bot)    1  0.259709D+01          0.414487          0.954391
 Vib (Bot)    2  0.250608D+01          0.398995          0.918721
 Vib (Bot)    3  0.229433D+01          0.360656          0.830441
 Vib (Bot)    4  0.139595D+01          0.144871          0.333577
 Vib (Bot)    5  0.138956D+01          0.142877          0.328988
 Vib (Bot)    6  0.120546D+01          0.081151          0.186857
 Vib (Bot)    7  0.909797D+00         -0.041056         -0.094534
 Vib (Bot)    8  0.899361D+00         -0.046066         -0.106071
 Vib (Bot)    9  0.873766D+00         -0.058605         -0.134943
 Vib (Bot)   10  0.774156D+00         -0.111172         -0.255982
 Vib (Bot)   11  0.660713D+00         -0.179987         -0.414435
 Vib (Bot)   12  0.659060D+00         -0.181075         -0.416941
 Vib (Bot)   13  0.605579D+00         -0.217829         -0.501570
 Vib (Bot)   14  0.561943D+00         -0.250308         -0.576356
 Vib (Bot)   15  0.560430D+00         -0.251479         -0.579051
 Vib (Bot)   16  0.442279D+00         -0.354303         -0.815814
 Vib (Bot)   17  0.441159D+00         -0.355405         -0.818349
 Vib (Bot)   18  0.440512D+00         -0.356042         -0.819817
 Vib (Bot)   19  0.367474D+00         -0.434773         -1.001102
 Vib (Bot)   20  0.366702D+00         -0.435687         -1.003207
 Vib (Bot)   21  0.323308D+00         -0.490384         -1.129150
 Vib (Bot)   22  0.307608D+00         -0.512003         -1.178930
 Vib (Bot)   23  0.278770D+00         -0.554754         -1.277369
 Vib (Bot)   24  0.278152D+00         -0.555717         -1.279586
 Vib (V=0)       0.142506D+05          4.153832          9.564552
 Vib (V=0)    1  0.314478D+01          0.497590          1.145744
 Vib (V=0)    2  0.305548D+01          0.485079          1.116935
 Vib (V=0)    3  0.284818D+01          0.454567          1.046680
 Vib (V=0)    4  0.198280D+01          0.297278          0.684508
 Vib (V=0)    5  0.197678D+01          0.295958          0.681469
 Vib (V=0)    6  0.180504D+01          0.256486          0.590581
 Vib (V=0)    7  0.153814D+01          0.186995          0.430572
 Vib (V=0)    8  0.152900D+01          0.184409          0.424617
 Vib (V=0)    9  0.150671D+01          0.178030          0.409929
 Vib (V=0)   10  0.142158D+01          0.152773          0.351772
 Vib (V=0)   11  0.132858D+01          0.123387          0.284109
 Vib (V=0)   12  0.132726D+01          0.122956          0.283117
 Vib (V=0)   13  0.128532D+01          0.109011          0.251007
 Vib (V=0)   14  0.125218D+01          0.097668          0.224889
 Vib (V=0)   15  0.125105D+01          0.097276          0.223986
 Vib (V=0)   16  0.116754D+01          0.067272          0.154900
 Vib (V=0)   17  0.116680D+01          0.066996          0.154264
 Vib (V=0)   18  0.116637D+01          0.066837          0.153898
 Vib (V=0)   19  0.112051D+01          0.049417          0.113787
 Vib (V=0)   20  0.112006D+01          0.049240          0.113379
 Vib (V=0)   21  0.109542D+01          0.039582          0.091140
 Vib (V=0)   22  0.108705D+01          0.036248          0.083463
 Vib (V=0)   23  0.107246D+01          0.030382          0.069957
 Vib (V=0)   24  0.107216D+01          0.030260          0.069677
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.182104D+07          6.260319         14.414918
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006233    0.000003792    0.000013588
      2        6           0.000003663   -0.000022719    0.000009299
      3        7           0.000016343   -0.000009128    0.000049379
      4       45           0.000039110   -0.000051583   -0.000155007
      5        7           0.000040785   -0.000006110    0.000005553
      6        7           0.000004408    0.000051506    0.000029114
      7        6           0.000003792    0.000000458    0.000019055
      8        6          -0.000007472    0.000016456   -0.000001446
      9        7          -0.000023816    0.000059023    0.000043525
     10        7          -0.000003878   -0.000037462    0.000058952
     11        6          -0.000027452   -0.000006994    0.000040184
     12        6          -0.000019286   -0.000022559    0.000041811
     13        7           0.000004558   -0.000033502   -0.000013665
     14        1          -0.000000986   -0.000000830   -0.000001116
     15        1          -0.000024741    0.000020333   -0.000000892
     16        1           0.000000146   -0.000002592   -0.000000369
     17        1          -0.000018254   -0.000012697   -0.000008347
     18        1           0.000001830    0.000002303    0.000003182
     19        1          -0.000011340   -0.000020433   -0.000006881
     20        1           0.000000357    0.000001881    0.000002761
     21        1           0.000023155    0.000011700    0.000010013
     22        1          -0.000003201    0.000002074   -0.000005230
     23        1          -0.000000702   -0.000007617   -0.000018032
     24        1          -0.000001547   -0.000001040   -0.000004740
     25        1           0.000002588    0.000020177   -0.000002535
     26        1           0.000026413   -0.000010103   -0.000020290
     27        1           0.000002919   -0.000003638   -0.000010193
     28        1          -0.000023652   -0.000015070   -0.000019364
     29        1          -0.000005767    0.000006730   -0.000015040
     30        1          -0.000001896    0.000002553   -0.000010133
     31        1           0.000001823   -0.000023410    0.000004615
     32        1          -0.000015722    0.000029103   -0.000023818
     33        1           0.000003312   -0.000000904    0.000007734
     34        1          -0.000004599   -0.000001203    0.000008627
     35        1          -0.000001175    0.000026598   -0.000005987
     36        1           0.000008166    0.000046545   -0.000024386
     37        1           0.000005884   -0.000011638    0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155007 RMS     0.000024744
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157122D+03 -0.266570D-02 -0.512744D-04
      2  -0.266570D-02  0.157116D+03 -0.338472D-02
      3  -0.512744D-04 -0.338472D-02  0.129330D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.360291D+01  0.365481D-01 -0.212952D-02
      2  -0.182143D-01 -0.358379D+01  0.419900D-03
      3  -0.999161D-02 -0.146339D-01 -0.214747D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.612815D+02  0.916525D+02  0.103060D-01
      2  -0.613000D+02 -0.916499D+02 -0.168346D-01
      3   0.185172D-01 -0.260337D-02  0.652862D-02
      4   0.916350D+02 -0.613253D+02  0.239618D-02
      5  -0.179088D-01  0.550735D+01  0.414594D-02
      6  -0.550344D+01 -0.392893D-01 -0.124497D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270731D+01 -0.959740D+00 -0.251324D+01 -0.113882D+01 -0.280583D+01
      2  -0.959740D+00 -0.446106D+01  0.945075D+00 -0.280583D+01  0.695590D+01
      3  -0.251324D+01  0.945075D+00  0.781331D+00  0.380027D+00 -0.365877D+01
                 6             7             8             9            10 
      1   0.380027D+00 -0.196165D+01  0.652790D+00  0.907439D+00 -0.137796D+01
      2  -0.365877D+01  0.652790D+00 -0.258218D+01  0.748336D+00  0.357200D+01
      3   0.619807D+00  0.907439D+00  0.748336D+00  0.219259D+00  0.315268D+01
                11            12            13            14            15 
      1   0.357200D+01  0.315268D+01  0.276717D+01  0.376485D+01  0.594036D+00
      2   0.522559D+01  0.115812D+01  0.376485D+01  0.192000D+01  0.302220D+01
      3   0.115812D+01 -0.481153D+00  0.594036D+00  0.302220D+01  0.877271D+00
                16            17            18            19            20 
      1   0.251664D+01  0.682241D+00 -0.550639D+00  0.715136D+00 -0.212530D+01
      2   0.682241D+00  0.203092D+01  0.104174D+01 -0.212530D+01 -0.235859D+01
      3  -0.550639D+00  0.104174D+01 -0.219976D+00 -0.179738D+01 -0.737955D+00
                21            22            23            24            25 
      1  -0.179738D+01 -0.350398D+01 -0.519809D+01 -0.207186D+01 -0.220448D+01
      2  -0.737955D+00 -0.519809D+01 -0.643287D+01 -0.446019D+01 -0.124432D+01
      3  -0.102552D+01 -0.207186D+01 -0.446019D+01 -0.185819D+01 -0.145497D+01
                26            27            28            29            30 
      1  -0.124432D+01 -0.145497D+01 -0.109849D+01 -0.160667D+01 -0.286752D-02
      2  -0.251713D+01 -0.163115D+01 -0.160667D+01  0.105930D+01 -0.169263D+01
      3  -0.163115D+01  0.147793D+01 -0.286752D-02 -0.169263D+01 -0.537773D-02
                31            32            33            34            35 
      1  -0.162781D+01  0.109048D+01  0.170120D+01  0.147378D-01 -0.654228D-02
      2   0.109048D+01  0.162682D+01 -0.115903D-01 -0.654228D-02  0.100741D-01
      3   0.170120D+01 -0.115903D-01  0.373556D-02 -0.196785D-02 -0.643433D-03
                36            37            38            39            40 
      1  -0.196785D-02 -0.173024D+01  0.628763D+00  0.119289D+01  0.444384D+00
      2  -0.643433D-03  0.628763D+00 -0.556918D+00  0.615571D+00  0.259539D+01
      3  -0.138849D-02  0.119289D+01  0.615571D+00  0.236607D+00 -0.717720D+00
                41            42            43            44            45 
      1   0.259539D+01 -0.717720D+00  0.137046D+01 -0.769108D+00  0.721937D+00
      2  -0.102389D+02  0.506655D+01 -0.769108D+00  0.334428D+01 -0.206309D+01
      3   0.506655D+01 -0.210399D+01  0.721937D+00 -0.206309D+01 -0.147908D+01
                46            47            48            49            50 
      1   0.476862D+01  0.502743D+01  0.405419D+01  0.240835D+01  0.313593D+01
      2   0.502743D+01  0.487273D+01  0.236719D+01  0.313593D+01  0.521661D+00
      3   0.405419D+01  0.236719D+01  0.170789D+01  0.103844D+01  0.220181D+01
                51            52            53            54            55 
      1   0.103844D+01  0.219433D+01  0.124039D+01  0.143050D+01 -0.410581D+00
      2   0.220181D+01  0.124039D+01  0.253196D+01  0.166236D+01 -0.293155D+01
      3   0.126450D+01  0.143050D+01  0.166236D+01 -0.147566D+01 -0.279497D+01
                56            57            58            59            60 
      1  -0.293155D+01 -0.279497D+01 -0.428088D+01 -0.472760D+01 -0.111109D+01
      2  -0.374000D+01 -0.544181D+00 -0.472760D+01 -0.145695D+00 -0.337376D+01
      3  -0.544181D+00 -0.928912D+00 -0.111109D+01 -0.337376D+01  0.362315D+00
                61            62            63            64            65 
      1  -0.185912D+01 -0.594716D+00 -0.110365D+01 -0.801138D+01  0.140795D+01
      2  -0.594716D+00 -0.268206D+01  0.409014D+00  0.140795D+01  0.201889D+01
      3  -0.110365D+01  0.409014D+00  0.221399D+00  0.381336D+01 -0.210652D+00
                66            67            68            69            70 
      1   0.381336D+01  0.308388D+01  0.205593D+01 -0.777341D+00  0.274216D+01
      2  -0.210652D+00  0.205593D+01 -0.208834D+01  0.236089D+01 -0.550530D+00
      3  -0.519282D+00 -0.777341D+00  0.236089D+01 -0.851359D+00 -0.626447D+00
                71            72            73            74            75 
      1  -0.550530D+00 -0.626447D+00  0.105624D+02 -0.101925D+01 -0.501974D+01
      2   0.180487D+01 -0.996266D+00 -0.101925D+01 -0.112465D+01  0.210458D+00
      3  -0.996266D+00 -0.220204D+00 -0.501974D+01  0.210458D+00  0.212576D+01
                76            77            78            79            80 
      1   0.211485D+01 -0.904796D+00 -0.111737D+01 -0.352035D+01  0.487533D+00
      2  -0.904796D+00  0.140414D+01 -0.124456D+01  0.487533D+00 -0.120898D+01
      3  -0.111737D+01 -0.124456D+01  0.334870D-01  0.214478D+01 -0.446716D+00
                81            82            83            84            85 
      1   0.214478D+01 -0.114777D+01  0.214901D+01 -0.258037D+01  0.393977D+00
      2  -0.446716D+00  0.214901D+01 -0.661927D+01  0.251912D+01 -0.401282D+01
      3   0.147562D+01 -0.258037D+01  0.251912D+01 -0.109704D+01  0.118968D+01
                86            87            88            89            90 
      1  -0.401282D+01  0.118968D+01 -0.136969D+01  0.755418D+00 -0.688077D+00
      2   0.601493D+01 -0.368317D+01  0.755418D+00 -0.337172D+01  0.207326D+01
      3  -0.368317D+01  0.181381D+01 -0.688077D+00  0.207326D+01  0.147888D+01
                91            92            93            94            95 
      1  -0.121808D+01  0.100004D+01  0.229789D+01  0.140779D+00  0.478616D+01
      2   0.100004D+01  0.336315D+01 -0.102720D+00  0.478616D+01 -0.582339D+01
      3   0.229789D+01 -0.102720D+00  0.100316D+01 -0.664401D+00  0.387977D+01
                96            97            98            99           100 
      1  -0.664401D+00  0.156148D+01 -0.129043D+00  0.117642D+01  0.729062D+01
      2   0.387977D+01 -0.129043D+00  0.298493D+01 -0.405416D-01 -0.360330D+01
      3  -0.204015D-01  0.117642D+01 -0.405416D-01 -0.221330D+00 -0.394496D+01
               101           102           103           104           105 
      1  -0.360330D+01 -0.394496D+01 -0.208068D+01 -0.205541D+01 -0.120633D+00
      2  -0.138619D+01  0.446068D+00 -0.205541D+01  0.694366D+00 -0.222278D+01
      3   0.446068D+00  0.148544D+00 -0.120633D+00 -0.222278D+01 -0.987723D+00
               106           107           108           109           110 
      1  -0.298895D+01 -0.615433D-01  0.195909D+00 -0.780780D+01  0.328881D+01
      2  -0.615433D-01 -0.154823D+01 -0.116180D+01  0.328881D+01  0.470082D+00
      3   0.195909D+00 -0.116180D+01  0.223201D+00  0.414178D+01 -0.989066D+00
               111           112           113           114           115 
      1   0.414178D+01  0.611173D+01 -0.951582D+00 -0.231955D+01  0.350644D+01
      2  -0.989066D+00 -0.951582D+00  0.761893D+00  0.211831D+01 -0.463255D+00
      3  -0.194549D+01 -0.231955D+01  0.211831D+01  0.846019D+00 -0.215465D+01
               116           117           118           119           120 
      1  -0.463255D+00 -0.215465D+01  0.114261D+02  0.149917D+00 -0.309188D+01
      2   0.118725D+01  0.406316D+00  0.149917D+00  0.102334D+01 -0.297889D-02
      3   0.406316D+00 -0.147990D+01 -0.309188D+01 -0.297889D-02  0.212084D+01
               121           122           123           124           125 
      1  -0.226077D+01  0.111291D+01  0.824871D+00 -0.309655D+01 -0.141129D-01
      2   0.111291D+01  0.106332D+00 -0.741220D+00 -0.141129D-01 -0.506595D+00
      3   0.824871D+00 -0.741220D+00 -0.258685D+00  0.247405D+01  0.185599D+00
               126           127           128           129           130 
      1   0.247405D+01  0.101415D+00  0.576475D+00 -0.873260D+00  0.127686D+01
      2   0.185599D+00  0.576475D+00 -0.688039D+00  0.239992D+00  0.520285D+00
      3  -0.154122D+01 -0.873260D+00  0.239992D+00 -0.371817D+00 -0.243294D+00
               131           132           133           134           135 
      1   0.520285D+00 -0.243294D+00 -0.141449D+01 -0.386785D+00  0.446802D+00
      2   0.463467D+01 -0.216786D+01 -0.386785D+00 -0.179733D+01  0.165462D+01
      3  -0.216786D+01  0.235627D+01  0.446802D+00  0.165462D+01 -0.221630D+01
               136           137           138           139           140 
      1   0.593305D+01  0.308285D+01  0.182231D+01  0.494254D+01  0.416927D+01
      2   0.308285D+01  0.263096D+01  0.827095D+00  0.416927D+01  0.434438D+01
      3   0.182231D+01  0.827095D+00  0.152409D+01  0.165486D+01  0.200777D+01
               141           142           143           144           145 
      1   0.165486D+01  0.214837D+01  0.124551D+01  0.207455D+01  0.214505D+01
      2   0.200777D+01  0.124551D+01  0.145099D+01  0.135778D+01 -0.881232D+00
      3   0.149550D+01  0.207455D+01  0.135778D+01  0.154005D+01  0.135629D+01
               146           147           148           149           150 
      1  -0.881232D+00  0.135629D+01 -0.217513D+01  0.153672D+01 -0.867763D+00
      2   0.100853D+01 -0.384030D+00  0.153672D+01 -0.287023D+01  0.168584D+01
      3  -0.384030D+00  0.114223D+01 -0.867763D+00  0.168584D+01 -0.209461D+01
               151           152           153           154           155 
      1   0.193465D+01 -0.284290D+00  0.136233D+01 -0.229476D+01  0.188782D+01
      2  -0.284290D+00  0.128377D+01 -0.104030D+01  0.188782D+01 -0.207192D+01
      3   0.136233D+01 -0.104030D+01  0.221543D+01 -0.973446D+00  0.400129D+00
               156           157           158           159           160 
      1  -0.973446D+00  0.301487D+01 -0.420353D+01  0.122742D+01 -0.116719D+01
      2   0.400129D+00 -0.420353D+01  0.884788D+01 -0.286114D+01  0.112947D+01
      3  -0.837838D+00  0.122742D+01 -0.286114D+01  0.196589D+01 -0.139849D+01
               161           162           163           164           165 
      1   0.112947D+01 -0.139849D+01 -0.368345D+01 -0.713849D+00 -0.184669D+01
      2  -0.243708D+01  0.204945D+01 -0.713849D+00 -0.115346D+01 -0.316916D+00
      3   0.204945D+01 -0.154126D+01 -0.184669D+01 -0.316916D+00 -0.185617D+01
               166           167           168           169           170 
      1  -0.210926D+01 -0.115009D+01 -0.800667D+00 -0.204007D+01  0.297766D-01
      2  -0.115009D+01 -0.133812D+01 -0.119824D+01  0.297766D-01 -0.118071D+01
      3  -0.800667D+00 -0.119824D+01 -0.149979D+01 -0.165799D+01 -0.440104D+00
               171           172           173           174           175 
      1  -0.165799D+01 -0.100853D+02  0.351349D+01  0.303517D+01  0.124934D+01
      2  -0.440104D+00  0.351349D+01 -0.224120D+01 -0.953270D+00 -0.140014D+01
      3  -0.222065D+01  0.303517D+01 -0.953270D+00 -0.205640D+01 -0.124479D+00
               176           177           178           179           180 
      1  -0.140014D+01 -0.124479D+00  0.270412D+01 -0.923895D+00 -0.221292D+01
      2   0.151901D+01  0.792814D+00 -0.923895D+00  0.894385D+00  0.111712D+01
      3   0.792814D+00  0.571675D+00 -0.221292D+01  0.111712D+01  0.153803D+01
               181           182           183           184           185 
      1   0.919255D+00  0.950211D+00  0.106245D+01  0.114795D+01  0.485522D+00
      2   0.950211D+00  0.187528D+01  0.697066D+00  0.485522D+00  0.411642D+01
      3   0.106245D+01  0.697066D+00  0.124273D+01  0.212188D+00  0.198193D+01
               186           187           188           189           190 
      1   0.212188D+00  0.120415D+01 -0.141691D+00  0.219078D+00 -0.300324D+01
      2   0.198193D+01 -0.141691D+00  0.202066D+01  0.170052D+01 -0.358464D+01
      3   0.203781D+01  0.219078D+00  0.170052D+01  0.221791D+01 -0.168542D+01
               191           192           193           194           195 
      1  -0.358464D+01 -0.168542D+01 -0.230169D+01 -0.304568D+01 -0.809979D+00
      2  -0.508763D+01 -0.163783D+01 -0.304568D+01 -0.740196D+01 -0.214864D+01
      3  -0.163783D+01 -0.128525D+01 -0.809979D+00 -0.214864D+01 -0.170767D+01
               196           197           198           199           200 
      1  -0.114221D+01 -0.111494D+01 -0.107659D+01  0.339176D+01 -0.151314D+01
      2  -0.111494D+01 -0.246126D+01 -0.223531D+01 -0.151314D+01  0.202094D+01
      3  -0.107659D+01 -0.223531D+01 -0.154130D+01 -0.184382D+01  0.803214D+00
               201           202           203           204           205 
      1  -0.184382D+01 -0.818574D+00  0.805811D+00  0.319042D+00 -0.136901D+01
      2   0.803214D+00  0.805811D+00 -0.164129D+01 -0.120001D+01  0.358575D+00
      3   0.222685D+01  0.319042D+00 -0.120001D+01 -0.857354D+00  0.120982D+01
               206           207           208           209           210 
      1   0.358575D+00  0.120982D+01  0.371087D+00 -0.152550D+01  0.886233D+00
      2  -0.184917D+01 -0.121547D+01 -0.152550D+01  0.338908D+01 -0.111415D+01
      3  -0.121547D+01 -0.221899D+01  0.886233D+00 -0.111415D+01  0.532333D+00
               211           212           213           214           215 
      1  -0.112261D+01  0.100877D+01 -0.286512D+00  0.546234D+00 -0.320550D+00
      2   0.100877D+01 -0.109438D+02  0.294328D+01 -0.320550D+00  0.305382D+01
      3  -0.286512D+00  0.294328D+01 -0.206714D+01  0.138229D+00 -0.247489D+01
               216           217           218           219           220 
      1   0.138229D+00 -0.451735D+01 -0.871978D+00  0.214594D+01  0.232264D+00
      2  -0.247489D+01 -0.871978D+00 -0.143631D+01  0.413529D+00 -0.573985D+00
      3   0.153864D+01  0.214594D+01  0.413529D+00 -0.238631D+01 -0.717150D-01
               221           222           223           224           225 
      1  -0.573985D+00 -0.717150D-01  0.169433D+01  0.424304D+00 -0.158282D+01
      2  -0.449145D+00  0.898020D+00  0.424304D+00  0.153094D+01 -0.660524D+00
      3   0.898020D+00  0.589556D-01 -0.158282D+01 -0.660524D+00  0.221833D+01
               226           227           228           229           230 
      1   0.511742D+01 -0.170736D+01  0.820540D+00 -0.186715D+01  0.999957D+00
      2  -0.170736D+01  0.346960D+01 -0.125917D+01  0.999957D+00 -0.571771D+00
      3   0.820540D+00 -0.125917D+01  0.140711D+01 -0.187063D+00 -0.469426D+00
               231           232           233           234           235 
      1  -0.187063D+00 -0.736969D-02  0.884391D-01  0.557977D+00  0.646454D+00
      2  -0.469426D+00  0.884391D-01 -0.189084D+01  0.443917D+00 -0.368954D+00
      3  -0.143924D+00  0.557977D+00  0.443917D+00  0.237096D+00  0.665361D+00
               236           237           238           239           240 
      1  -0.368954D+00  0.665361D+00 -0.412096D+00 -0.418734D+00  0.217594D+00
      2  -0.954570D+00  0.304137D+00 -0.418734D+00  0.124069D+01 -0.127095D+00
      3   0.304137D+00 -0.202922D+00  0.217594D+00 -0.127095D+00  0.652257D+00
               241           242           243           244           245 
      1   0.102988D+01 -0.866279D-01  0.975394D+00 -0.653239D+01 -0.666036D+00
      2  -0.866279D-01  0.216748D+01 -0.124707D+01 -0.666036D+00 -0.233212D+01
      3   0.975394D+00 -0.124707D+01  0.708816D+01 -0.113776D+01 -0.589513D+00
               246           247           248           249           250 
      1  -0.113776D+01  0.126099D+00  0.140642D-01  0.482206D+00  0.351566D+00
      2  -0.589513D+00  0.140642D-01  0.908363D+00  0.793121D+00  0.730622D+00
      3  -0.135428D+01  0.482206D+00  0.793121D+00  0.408218D+00 -0.343811D+00
               251           252           253           254           255 
      1   0.730622D+00 -0.343811D+00 -0.574486D+00  0.620166D+00 -0.364119D+00
      2   0.155808D+01  0.625887D+00  0.620166D+00  0.117305D+01  0.507737D+00
      3   0.625887D+00 -0.232323D+00 -0.364119D+00  0.507737D+00  0.434627D+00
               256           257           258           259           260 
      1   0.374967D+00  0.696878D+00  0.422540D+00 -0.125897D+01 -0.463175D+00
      2   0.696878D+00  0.269805D+00 -0.173125D+00 -0.463175D+00 -0.193805D+01
      3   0.422540D+00 -0.173125D+00  0.524278D+00 -0.138067D+01 -0.776628D+00
               261           262           263           264           265 
      1  -0.138067D+01 -0.419587D+01 -0.170060D+01  0.479719D+00 -0.376368D+01
      2  -0.776628D+00 -0.170060D+01 -0.219591D+01  0.383182D+00 -0.826958D+00
      3  -0.708720D+01  0.479719D+00  0.383182D+00 -0.827214D+00  0.145615D+01
               266           267           268           269           270 
      1  -0.826958D+00  0.145615D+01 -0.150030D+01  0.772490D+00  0.106297D+00
      2  -0.245911D+01 -0.127301D+00  0.772490D+00 -0.405406D+00 -0.704974D+00
      3  -0.127301D+00 -0.114899D+01  0.106297D+00 -0.704974D+00  0.236662D+00
               271           272           273           274           275 
      1   0.114926D+01 -0.876900D+00 -0.155196D+00 -0.389912D+00 -0.507785D+00
      2  -0.876900D+00 -0.276743D+00  0.255873D+00 -0.507785D+00  0.245450D+00
      3  -0.155196D+00  0.255873D+00  0.668131D+00  0.168373D+00  0.693317D+00
               276           277           278           279           280 
      1   0.168373D+00  0.195714D+01 -0.448067D+00 -0.156534D+01  0.201519D+01
      2   0.693317D+00 -0.448067D+00  0.123820D+01 -0.218521D+00  0.444202D+00
      3  -0.147980D+00 -0.156534D+01 -0.218521D+00  0.708763D+01  0.355572D+00
               281           282           283           284           285 
      1   0.444202D+00  0.355572D+00  0.207371D+01  0.145815D+01 -0.271262D+00
      2   0.331996D+01 -0.134312D+01  0.145815D+01  0.508383D+01 -0.698500D+00
      3  -0.134312D+01  0.103071D+01 -0.271262D+00 -0.698500D+00  0.967608D+00
               286           287           288           289           290 
      1   0.620642D+00 -0.887690D+00  0.714529D+00 -0.362970D+00  0.270128D+00
      2  -0.887690D+00  0.129138D+01 -0.154127D-01  0.270128D+00  0.627087D+00
      3   0.714529D+00 -0.154127D-01 -0.232943D+00 -0.624116D+00 -0.274085D+00
               291           292           293           294           295 
      1  -0.624116D+00 -0.195799D-01  0.107529D+01 -0.358287D+00 -0.136813D+01
      2  -0.274085D+00  0.107529D+01 -0.819112D+00  0.841394D-01  0.525820D+00
      3   0.241472D+00 -0.358287D+00  0.841394D-01 -0.634476D+00  0.200339D-01
               296           297           298           299           300 
      1   0.525820D+00  0.200339D-01 -0.118233D+01 -0.121447D+00 -0.774163D+00
      2  -0.183228D+01  0.158727D+01 -0.121447D+00 -0.101061D+01 -0.734751D+00
      3   0.158727D+01 -0.708686D+01 -0.774163D+00 -0.734751D+00 -0.581019D+00
               301           302           303           304           305 
      1   0.209668D+01  0.889704D-01  0.340026D+00 -0.134809D+01 -0.860763D+00
      2   0.889704D-01  0.655581D+01  0.112588D+01 -0.860763D+00 -0.551507D+00
      3   0.340026D+00  0.112588D+01  0.129150D+01 -0.662758D+00  0.259829D+00
               306           307           308           309           310 
      1  -0.662758D+00  0.342895D-01 -0.546774D+00  0.296520D+00 -0.992087D+00
      2   0.259829D+00 -0.546774D+00 -0.599359D+00 -0.430035D+00 -0.903903D+00
      3   0.237229D+00  0.296520D+00 -0.430035D+00 -0.464836D+00 -0.517444D+00
               311           312           313           314           315 
      1  -0.903903D+00 -0.517444D+00  0.180712D+01  0.534446D+00  0.591535D+00
      2   0.305566D+00  0.240421D+00  0.534446D+00  0.138856D+01  0.146287D+01
      3   0.240421D+00 -0.507812D+00  0.591535D+00  0.146287D+01  0.708827D+01
               316           317           318           319           320 
      1   0.135561D+01 -0.136275D+01  0.263581D+00 -0.378847D+01  0.170128D+01
      2  -0.136275D+01  0.218810D+01  0.329125D+00  0.170128D+01 -0.439932D+01
      3   0.263581D+00  0.329125D+00  0.324235D+00  0.140188D+01 -0.609900D+00
               321           322           323           324           325 
      1   0.140188D+01  0.188259D+01  0.156693D+00 -0.368146D+00 -0.141556D+01
      2  -0.609900D+00  0.156693D+00  0.158678D-01 -0.611900D+00  0.117692D+00
      3  -0.137704D+01 -0.368146D+00 -0.611900D+00 -0.235456D+00  0.180921D+00
               326           327           328           329           330 
      1   0.117692D+00  0.180921D+00  0.652781D+00  0.584335D+00 -0.192119D+00
      2   0.558880D+00 -0.105617D+00  0.584335D+00 -0.454783D+00 -0.718797D+00
      3  -0.105617D+00 -0.671820D+00 -0.192119D+00 -0.718797D+00  0.116250D+00
               331           332           333 
      1  -0.217042D+01 -0.628824D-01  0.136232D+01
      2  -0.628824D-01 -0.102791D+01 -0.804567D+00
      3   0.136232D+01 -0.804567D+00 -0.708767D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.108240D+02 -0.505028D+01  0.490132D+01 -0.496424D+01  0.973622D-01
      2   0.305350D+00  0.232806D+01  0.339459D+01  0.152921D+01  0.204057D+01
      3  -0.905819D+01  0.121084D+01  0.931936D+01  0.566738D+01  0.748109D+01
                 6             7             8             9            10 
      1  -0.891027D+01 -0.499014D+00 -0.206302D+01 -0.120176D+01  0.494017D+01
      2   0.931962D+00  0.639650D+00 -0.600578D+00 -0.123608D+00 -0.292763D+01
      3   0.123606D+01  0.100646D+02  0.992183D+00 -0.282831D+01  0.907284D+01
                11            12            13            14            15 
      1  -0.730512D+01 -0.627076D+01 -0.692916D+01  0.589634D+01 -0.670429D+01
      2   0.178725D+01  0.561113D+01  0.249167D+01  0.975616D+00  0.430246D+00
      3  -0.564727D+01 -0.814053D+01 -0.116193D+01 -0.747950D+01  0.471348D+01
                16            17            18            19            20 
      1   0.885502D-02 -0.182059D+01  0.104575D+01  0.525655D+00 -0.154868D+01
      2   0.880672D+00  0.108061D+01 -0.581093D+00  0.173879D+02  0.117137D+02
      3  -0.890930D+01  0.477731D+01  0.283386D+01 -0.194684D+02 -0.150212D+02
                21            22            23            24            25 
      1   0.306016D+01 -0.272435D-01 -0.134850D+02  0.323736D+01  0.978100D+01
      2   0.762591D+01  0.411931D+01 -0.278965D+00 -0.299057D+01 -0.885761D+01
      3  -0.749444D+01 -0.173543D+00  0.118020D+02  0.111175D+01 -0.293543D+01
                26            27            28            29            30 
      1   0.162421D+02  0.163362D+02  0.209142D+01  0.325435D+01  0.317594D-01
      2  -0.990971D+01 -0.148439D+02  0.300459D+01 -0.207979D+01  0.252630D+01
      3   0.260037D+01 -0.677091D+00 -0.909222D-01 -0.533682D+01 -0.240216D-01
                31            32            33            34            35 
      1   0.310872D+01 -0.216183D+01 -0.249959D+01  0.135529D+00  0.622761D+01
      2  -0.209092D+01 -0.317158D+01  0.494765D-01 -0.606397D+01 -0.126491D-02
      3   0.531187D+01 -0.202938D-01  0.902487D-01  0.807925D-01  0.107221D+00
                36            37            38            39            40 
      1  -0.603751D-01  0.442890D+01 -0.261806D+01  0.166053D+01  0.166546D+01
      2  -0.169944D+00  0.813178D+01 -0.158166D+02  0.817078D+01 -0.940282D+01
      3  -0.971965D-01  0.951069D+01 -0.238706D+02  0.734218D+01 -0.904768D+01
                41            42            43            44            45 
      1   0.140341D+02  0.382858D+01 -0.430025D+01  0.221814D+02 -0.207822D+02
      2   0.274259D+01 -0.174574D+01 -0.298305D+01  0.439430D+01 -0.742195D+01
      3  -0.175179D+01 -0.185778D+01  0.370203D+01  0.124741D+01  0.702444D+00
                46            47            48            49            50 
      1   0.287769D+00 -0.177882D+01  0.427595D+01 -0.951450D+01 -0.189470D+02
      2   0.131923D+02  0.158901D+01 -0.226181D+01  0.209137D+01 -0.258953D+01
      3  -0.131852D+02 -0.411550D+01 -0.206156D+01  0.107628D+02  0.208608D+02
                51            52            53            54            55 
      1  -0.670075D+01  0.105314D+02  0.115381D+02  0.168259D+02  0.642945D+00
      2  -0.432445D+01 -0.136549D+02 -0.104169D+02 -0.142548D+02 -0.767539D+01
      3   0.729708D+01 -0.293271D+01  0.255968D+01  0.676538D+00  0.632355D+01
                56            57            58            59            60 
      1  -0.376099D+01 -0.472626D+00 -0.310708D+01  0.267941D+01 -0.649286D+01
      2   0.612677D+01  0.581427D+01  0.658925D+01 -0.277796D+01  0.630243D+01
      3   0.321432D+01 -0.572566D+01  0.769357D+01 -0.789128D+01  0.744333D+01
                61            62            63            64            65 
      1  -0.118973D+01 -0.103240D+01  0.705017D+00 -0.133922D+01 -0.211282D+01
      2   0.164992D+01  0.935317D-01 -0.952901D+00 -0.137311D+01  0.313281D+01
      3  -0.588528D+01  0.820882D+01 -0.283207D+01 -0.630518D+01 -0.770023D+01
                66            67            68            69            70 
      1  -0.170084D+01 -0.292075D+01 -0.237035D+01 -0.298260D+01  0.403307D+00
      2   0.931952D+01  0.312498D+01  0.117030D+02 -0.411776D+01  0.204884D+01
      3  -0.819458D-02 -0.321431D+01  0.788221D+01 -0.938974D+01  0.312292D+00
                71            72            73            74            75 
      1  -0.648094D+00 -0.227239D-01 -0.416636D+01  0.997734D+01  0.317355D+01
      2   0.681838D+00  0.119292D+01 -0.146462D+02 -0.162092D+01 -0.317275D+01
      3  -0.100943D+02  0.283953D+01 -0.253714D+01  0.994864D+01  0.273707D+01
                76            77            78            79            80 
      1   0.157838D+02 -0.411566D+01 -0.752926D+01 -0.177198D+01  0.216288D+01
      2   0.338104D+01 -0.503478D+01 -0.319150D+01 -0.230179D+02  0.157714D+01
      3   0.247438D+02 -0.501773D+01 -0.705324D+01 -0.773825D+00 -0.388184D+01
                81            82            83            84            85 
      1   0.473147D+01  0.232626D+01  0.356160D+01 -0.615747D+01 -0.369757D+01
      2   0.216089D+02  0.944656D+01 -0.869931D+01  0.210744D+01 -0.617963D+01
      3  -0.636863D+00  0.106121D+02 -0.171322D+02  0.471541D+01 -0.230210D+01
                86            87            88            89            90 
      1   0.190382D+02 -0.229314D+01 -0.820562D+01  0.192724D+02 -0.210157D+02
      2  -0.675985D+01  0.622137D+01 -0.591061D+01  0.809653D+01 -0.671027D+01
      3  -0.182311D+02  0.592571D+01  0.368688D+01  0.124143D+01 -0.695165D+00
                91            92            93            94            95 
      1  -0.749299D+01 -0.418364D+01 -0.772252D+00 -0.375038D+01  0.403285D+00
      2  -0.928421D+01 -0.102754D+01  0.352252D+01 -0.169570D+01  0.917508D+00
      3  -0.405409D+00  0.660726D+01  0.814879D+01  0.110943D+02  0.201012D+01
                96            97            98            99           100 
      1  -0.878749D+01  0.120880D+01 -0.158499D+01 -0.102440D+01 -0.913082D+00
      2  -0.507555D+01  0.110004D+01 -0.131852D+00 -0.609030D+00 -0.144637D+01
      3   0.468088D+01  0.858285D+01  0.533608D+01  0.284598D+01  0.378266D+00
               101           102           103           104           105 
      1  -0.149372D-01  0.431382D+01 -0.753325D+00  0.829074D+01 -0.303352D+01
      2   0.260965D+01  0.925735D+01  0.293599D+01  0.955899D+01  0.153697D+01
      3  -0.111158D+02 -0.357705D+01 -0.666830D+01 -0.195576D+01 -0.867910D+01
               106           107           108           109           110 
      1   0.524251D-01 -0.941699D+00  0.466673D+00  0.694981D+01  0.777150D+01
      2   0.175970D+01 -0.113483D+01  0.107863D+01 -0.179308D+02  0.254832D+01
      3  -0.414444D+01 -0.921937D+01 -0.284323D+01  0.152607D+02  0.569498D+01
               111           112           113           114           115 
      1  -0.607314D+01  0.112198D+02 -0.680499D+01 -0.375414D+01 -0.611979D+01
      2   0.678410D+00 -0.432916D+01 -0.347713D+01  0.598893D+01 -0.211765D+02
      3  -0.526609D+01  0.205813D+02 -0.757624D+01 -0.549449D+01 -0.822494D+00
               116           117           118           119           120 
      1   0.403102D+01  0.398065D+01  0.136978D+01 -0.168889D+01 -0.193949D+01
      2   0.623599D+01  0.217839D+02  0.251106D+01  0.895135D+00  0.592747D+01
      3  -0.389514D+01  0.696845D+00  0.733862D+01 -0.566854D+01 -0.299812D+01
               121           122           123           124           125 
      1  -0.289099D+00  0.107886D+01 -0.287099D+00 -0.139717D+01  0.140953D+01
      2  -0.313319D+01 -0.185851D+01  0.418996D+00  0.260807D+01 -0.281195D+00
      3  -0.215146D+01  0.179281D+01  0.250953D+01 -0.103388D+01  0.302385D+01
               126           127           128           129           130 
      1   0.851176D+00  0.759857D+00  0.105508D+01  0.801881D+00 -0.121466D+00
      2  -0.270291D+01 -0.453690D+01  0.139347D+01 -0.229560D+01  0.104137D+01
      3   0.106947D+01 -0.336310D+01  0.327163D+01 -0.195090D+01  0.285493D+01
               131           132           133           134           135 
      1  -0.310400D+01 -0.205842D+01 -0.891474D-01  0.128533D+01  0.877386D+00
      2  -0.664406D+01  0.772086D+01 -0.215997D+01  0.526618D+01 -0.632792D+01
      3  -0.148127D+02  0.695349D+01 -0.625898D+00  0.566731D+01 -0.562168D+01
               136           137           138           139           140 
      1   0.132440D+00  0.110662D+01 -0.165595D+01  0.244971D+01  0.221290D+01
      2   0.331310D+00  0.360763D+00  0.497600D+01 -0.368938D+01  0.636095D+00
      3  -0.151361D+01 -0.545213D+01 -0.853067D+00 -0.194033D+01 -0.763141D+01
               141           142           143           144           145 
      1  -0.123681D+01 -0.951523D+00  0.463369D+00 -0.966606D+00 -0.268836D+01
      2   0.317716D+01  0.166042D+01  0.263436D+01  0.266140D+01  0.314114D+01
      3  -0.381682D+01  0.101421D+01 -0.303318D+01 -0.107309D+01  0.462015D+01
               146           147           148           149           150 
      1   0.125768D+01 -0.126035D+01  0.238581D+01 -0.596625D+01  0.289211D+01
      2   0.271316D+00  0.267238D+01  0.721293D+00  0.429125D+01 -0.725390D+01
      3  -0.457280D+01  0.269231D+01 -0.496001D+01  0.135243D+02 -0.670196D+01
               151           152           153           154           155 
      1  -0.146695D+01  0.420176D+01 -0.315006D+01  0.134871D+01 -0.418199D+00
      2   0.754712D+00 -0.370556D+01  0.555374D+01  0.111475D+01 -0.622635D+00
      3   0.294227D+01 -0.489509D+01  0.561804D+01 -0.212087D+00 -0.220262D+01
               156           157           158           159           160 
      1   0.227132D+01  0.236634D+01 -0.314375D+01 -0.349380D+01  0.118268D+01
      2   0.271938D+01  0.260623D+01  0.665628D+00 -0.379109D+01  0.792043D-01
      3  -0.673320D+00  0.132030D+01  0.932479D+01 -0.385011D+01 -0.210479D+01
               161           162           163           164           165 
      1  -0.112293D+01  0.191778D+01  0.524945D+01  0.185294D+01  0.410570D+01
      2  -0.285937D+01  0.209074D+01  0.102872D+01 -0.462945D+00  0.397156D+01
      3  -0.240780D+01  0.106748D+01 -0.928253D+01 -0.632179D+01 -0.505028D+01
               166           167           168           169           170 
      1   0.272883D+01  0.558379D+01  0.420885D+01  0.354794D+01  0.427656D+01
      2  -0.130679D+01  0.251780D+01  0.441283D+01  0.814258D+00  0.163237D+01
      3  -0.671154D+01 -0.883763D+01 -0.516500D+01 -0.459241D+01 -0.339246D+01
               171           172           173           174           175 
      1   0.504923D+01 -0.850611D+00 -0.225873D+01  0.358370D+01  0.580308D+00
      2   0.393473D+01  0.324183D+01 -0.206407D+01  0.426504D+01  0.112859D+01
      3  -0.562658D+01 -0.930480D+01 -0.256132D+01  0.372944D+01  0.957823D+00
               176           177           178           179           180 
      1  -0.116118D+01 -0.194862D+01  0.265473D+01  0.423776D+00 -0.181675D+01
      2  -0.169674D+01 -0.207011D+01  0.162115D+01 -0.974222D+00 -0.216250D+01
      3   0.154663D+00  0.116897D+01  0.211553D+01  0.239684D+01 -0.107096D+01
               181           182           183           184           185 
      1  -0.205515D+01  0.142190D+01 -0.334122D+01  0.461631D+00 -0.474734D-01
      2  -0.532891D+01 -0.252464D+01 -0.410342D+01 -0.178120D+01 -0.590436D+01
      3   0.719773D+01  0.643221D+01  0.446887D+01  0.606477D+01  0.109747D+02
               186           187           188           189           190 
      1  -0.388828D+01 -0.100586D+01 -0.475227D+00 -0.324625D+01 -0.828656D+00
      2  -0.517450D+01 -0.393975D+01 -0.417214D+01 -0.551249D+01 -0.183996D+01
      3   0.568708D+01  0.277837D+01  0.499576D+01  0.562052D+01  0.656467D+01
               191           192           193           194           195 
      1   0.390973D+01 -0.261444D+01 -0.280608D+00  0.175556D+00 -0.553883D+01
      2  -0.216499D+01  0.676100D+00 -0.136374D+01 -0.608267D+00  0.109203D+01
      3   0.259763D+01  0.367357D+01  0.611561D+01  0.256512D+01  0.134270D+01
               196           197           198           199           200 
      1  -0.230014D+01 -0.208413D+01 -0.276498D+01 -0.494408D+01 -0.594784D+00
      2  -0.889405D+00  0.621314D+00  0.613241D+00  0.580201D+01 -0.199826D+01
      3   0.313824D+01 -0.615512D+00  0.106975D+01 -0.146124D+02  0.364170D+01
               201           202           203           204           205 
      1   0.787881D+01 -0.302651D+00 -0.355800D+01 -0.179057D+01  0.430858D+01
      2  -0.203170D+01 -0.807946D+00  0.182295D+01  0.644498D+00 -0.382620D+01
      3   0.700379D+01  0.324179D+01 -0.354981D+01 -0.179015D+01  0.523028D+01
               206           207           208           209           210 
      1  -0.371587D+00 -0.592935D+01  0.165714D+01  0.359291D+01  0.348427D+00
      2   0.872525D+00  0.240329D+01 -0.113273D+01  0.767540D+00  0.803332D-01
      3  -0.228738D+01 -0.562565D+01 -0.289900D+01  0.273473D+01 -0.287604D+01
               211           212           213           214           215 
      1  -0.587139D+00 -0.199207D+01 -0.613448D+01  0.816015D+00 -0.268304D+01
      2   0.162927D+01 -0.137933D+01  0.116959D+01 -0.148409D+01  0.862633D+00
      3   0.625407D+01 -0.624303D+01  0.264538D+01 -0.313244D+01  0.636126D+00
               216           217           218           219           220 
      1   0.278694D+01  0.646614D+01 -0.814637D+00 -0.817441D+01 -0.984421D+00
      2  -0.493348D+00  0.404178D+01  0.532190D+00  0.109886D+01 -0.666059D+00
      3  -0.106951D+01  0.154398D+02 -0.129492D+01 -0.715635D+01 -0.165380D+01
               221           222           223           224           225 
      1   0.428470D+01  0.131231D+01 -0.529744D+01  0.146795D+01  0.640122D+01
      2  -0.256293D+00 -0.344426D+00 -0.199728D+01  0.114193D+00 -0.586467D-01
      3   0.270107D+01  0.101977D+01 -0.572254D+01 -0.887003D-01  0.562673D+01
               226           227           228           229           230 
      1  -0.283363D+00  0.381756D+01  0.112167D+01  0.102997D+01  0.428082D+00
      2  -0.876482D+01  0.311057D+01 -0.457246D-01  0.120878D+01 -0.561545D+00
      3  -0.116104D+02  0.713547D+00 -0.181547D+01  0.207856D+01 -0.102375D+01
               231           232           233           234           235 
      1  -0.167669D+01  0.177997D+01 -0.217187D+01  0.617342D+00  0.177709D+01
      2  -0.467485D+00  0.129673D+01 -0.158575D+01 -0.407200D+00  0.199942D-01
      3  -0.212287D+00  0.195588D+01  0.366227D+00 -0.725667D+00 -0.520367D+00
               236           237           238           239           240 
      1  -0.467052D+00 -0.362253D+00  0.110148D+01  0.141088D+01  0.246105D+01
      2   0.448206D+00 -0.108500D+01  0.445582D-01 -0.168983D+01  0.143783D+01
      3  -0.321786D+00 -0.169690D+01  0.303496D+00 -0.166244D+01 -0.132283D+00
               241           242           243           244           245 
      1   0.275499D+01  0.116699D+01  0.148602D+02 -0.173411D+01  0.281996D+01
      2  -0.168313D+01 -0.147520D+01  0.425315D+01 -0.910357D+01 -0.743508D+00
      3  -0.210152D+01 -0.201777D+01 -0.161960D+01  0.110156D+02 -0.343377D+01
               246           247           248           249           250 
      1  -0.147380D+01  0.954885D+00 -0.194354D+01 -0.850729D+00 -0.159231D+01
      2   0.734889D+00  0.212539D+01  0.556800D+00  0.824277D+00  0.262062D+01
      3   0.162091D+01 -0.208204D+01  0.157633D+01 -0.885947D+00 -0.168056D+01
               251           252           253           254           255 
      1  -0.835978D+00 -0.716274D+00 -0.153535D+01 -0.770232D+00  0.576627D+00
      2   0.139529D+01 -0.149199D+00  0.187498D+00 -0.750507D+00 -0.191806D+01
      3   0.110633D+01  0.730286D+00  0.694087D+00  0.829737D-01  0.151376D+01
               256           257           258           259           260 
      1   0.824007D+00 -0.201108D+01  0.161809D+01 -0.232477D+01  0.275441D+01
      2  -0.952415D+00 -0.523292D+00 -0.166565D+01 -0.853579D-01  0.103350D+01
      3   0.703828D+00  0.148082D+01 -0.772526D+00  0.116020D+01 -0.267366D+01
               261           262           263           264           265 
      1  -0.120966D+02 -0.296951D+01 -0.309658D+01  0.699682D+00 -0.338050D+01
      2   0.960764D+01  0.384662D+01  0.190375D+01  0.188151D+01  0.530554D+01
      3   0.163149D+01 -0.490066D+01 -0.592457D+01  0.763812D+00 -0.460026D+01
               266           267           268           269           270 
      1  -0.517057D+01  0.314602D+00 -0.359556D+00 -0.417120D-01 -0.655541D+00
      2   0.680309D+00 -0.236576D-01  0.338212D+01  0.578353D+00 -0.309422D+00
      3  -0.775907D+01  0.168756D+01 -0.654861D+00 -0.190800D+01 -0.743122D+00
               271           272           273           274           275 
      1  -0.187223D+01  0.109891D+01  0.396639D+00 -0.351033D-01 -0.114264D+01
      2  -0.343136D+00  0.253997D+00 -0.290173D+01 -0.876050D+00 -0.159561D+01
      3  -0.135170D+01  0.178244D+00  0.731056D+00  0.804037D+00 -0.812975D+00
               276           277           278           279           280 
      1   0.646291D+00 -0.211490D+00  0.339306D+01 -0.374628D+01 -0.364072D+00
      2   0.680478D+00  0.535055D+00  0.149134D+01 -0.149860D+02  0.428374D+01
      3   0.153275D+01 -0.706859D+00  0.282373D+01 -0.161372D+01  0.633791D+01
               281           282           283           284           285 
      1  -0.520378D+01  0.286162D+00 -0.176036D+01 -0.519704D+01 -0.174096D+01
      2   0.290858D+01 -0.170378D+00  0.307403D+01  0.316249D+01 -0.953874D+00
      3   0.479324D+01 -0.157482D+01  0.612933D+01  0.626880D+01 -0.964390D+00
               286           287           288           289           290 
      1  -0.140336D+00 -0.346772D+01  0.222243D+00  0.129836D+01  0.103110D+01
      2  -0.792962D-02 -0.691599D-01  0.690395D+00  0.147375D+01  0.102777D+00
      3   0.179242D+01  0.912313D+00  0.737669D+00  0.950134D+00 -0.853139D+00
               291           292           293           294           295 
      1  -0.982986D+00  0.507016D-01  0.188769D+00  0.280631D+01 -0.959263D+00
      2  -0.728594D+00 -0.116826D+01  0.178105D+01 -0.117613D+00 -0.354508D+01
      3  -0.142738D+01 -0.227951D+00  0.122836D+01 -0.927962D+00 -0.289502D+01
               296           297           298           299           300 
      1  -0.708529D+00  0.143756D+02 -0.518768D+00 -0.321810D+01 -0.799238D+00
      2  -0.337783D+00  0.567463D+01  0.240798D+01 -0.129723D+01  0.556079D+00
      3   0.324726D+00  0.163556D+01 -0.247368D+01  0.322379D+01  0.108468D+01
               301           302           303           304           305 
      1  -0.109802D+00  0.851210D+01 -0.101589D+01 -0.111636D+01 -0.296749D+01
      2  -0.277654D+01  0.238935D+01  0.145950D+01  0.487001D+00  0.131707D+01
      3   0.455539D+01 -0.101549D+02 -0.150738D+01 -0.131282D+01  0.152033D+01
               306           307           308           309           310 
      1   0.494817D-01  0.278219D-01  0.110774D+01  0.158843D+01  0.698861D+00
      2   0.729640D+00  0.206575D+01 -0.625701D+00 -0.133895D+01  0.937782D+00
      3  -0.731263D+00 -0.137552D+01 -0.799071D+00  0.957812D+00 -0.170596D+00
               311           312           313           314           315 
      1  -0.190814D+00  0.222210D+01 -0.629406D+00 -0.262510D+00 -0.111060D+02
      2   0.152650D+01 -0.514971D+00 -0.315887D+01  0.190988D+01  0.107413D+02
      3  -0.791459D+00 -0.140491D+01  0.279702D+01 -0.802150D+00 -0.161172D+01
               316           317           318           319           320 
      1   0.120272D+01 -0.203461D+01  0.209122D+00 -0.358437D+01  0.800214D+01
      2   0.427434D+00 -0.128027D+01  0.181053D+01 -0.434492D+01  0.659962D+00
      3   0.151323D+01 -0.339428D+01 -0.397305D-01 -0.205106D+01  0.110218D+02
               321           322           323           324           325 
      1   0.257107D+00  0.141949D+01 -0.865385D+00  0.478424D+00  0.189744D+01
      2  -0.831342D+00  0.257443D+01 -0.160034D+01 -0.557681D+00 -0.106191D+01
      3   0.186649D+01 -0.112835D+00 -0.197575D+01  0.719123D+00  0.163822D+01
               326           327           328           329           330 
      1   0.302036D+00 -0.123402D+01 -0.308607D+00  0.197493D+00  0.871912D+00
      2  -0.100635D+01 -0.267223D+01  0.479042D+00 -0.182085D+01  0.154742D+00
      3  -0.173594D+00 -0.910586D-01  0.450749D+00  0.547949D+00  0.169481D+01
               331           332           333 
      1   0.134438D+01  0.221890D+01 -0.227869D+01
      2  -0.643860D+00 -0.262808D+01 -0.152844D+02
      3   0.172604D+01  0.234404D+01  0.162116D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.656199D+01 -0.126504D+02  0.726121D+01 -0.959634D+01  0.277930D+02
      2   0.107805D+02  0.230910D+02 -0.795405D+01  0.177679D+02 -0.407891D+02
      3  -0.421855D+01 -0.104406D+02  0.692836D+00 -0.817153D+01  0.129961D+02
      4  -0.985068D+01  0.609405D+01  0.123568D+02  0.607629D+01  0.117479D+02
      5   0.803462D+01  0.316923D+00 -0.718833D+01 -0.275688D+01 -0.290607D+01
      6   0.137728D+02 -0.808387D+01 -0.544410D+01 -0.387404D+01  0.245499D+02
                 6             7             8             9            10 
      1  -0.127040D+02  0.627738D+01 -0.853732D+01 -0.145004D+01  0.115478D+02
      2   0.237489D+02 -0.653653D+01  0.170998D+02 -0.239046D+01 -0.164214D+02
      3  -0.110449D+02  0.259147D+00 -0.856252D+01  0.384050D+01  0.487362D+01
      4   0.708024D-01  0.104077D+02 -0.195110D+01 -0.363169D+01  0.154507D+01
      5  -0.749712D+00 -0.598615D+01 -0.165741D+00  0.124046D+01 -0.759876D+00
      6  -0.577096D+01 -0.336374D+01 -0.607241D+01 -0.204514D+01 -0.209000D+02
                11            12            13            14            15 
      1   0.108418D+02 -0.587108D+00  0.900623D+01  0.816501D+00  0.827164D+01
      2  -0.246345D+02 -0.429584D+01 -0.205311D+02 -0.467795D+01 -0.181943D+02
      3   0.137928D+02  0.488295D+01  0.115249D+02  0.386145D+01  0.992263D+01
      4  -0.224768D+02 -0.179734D+02 -0.195085D+02 -0.209917D+02 -0.647007D+01
      5  -0.808940D+01 -0.480458D+01 -0.362831D+01 -0.918086D+01  0.330953D+00
      6  -0.765451D+01  0.501429D+01 -0.493642D+01 -0.164828D+02 -0.819806D+01
                16            17            18            19            20 
      1  -0.144036D+01  0.427571D+01  0.988951D+00 -0.175398D+02 -0.419792D+01
      2  -0.209006D+01 -0.120824D+02 -0.484958D+01  0.118829D+02  0.617839D+01
      3   0.353042D+01  0.780667D+01  0.386063D+01  0.565694D+01 -0.198047D+01
      4  -0.149881D+02 -0.510567D+01  0.222404D+01 -0.753718D+01  0.482248D+01
      5  -0.475383D+01 -0.388211D+00  0.193922D+01 -0.392196D+01  0.245355D+01
      6   0.280938D+01 -0.733168D+01  0.141641D+01  0.450144D+01  0.238316D+01
                21            22            23            24            25 
      1  -0.195818D+01 -0.945165D+01 -0.121359D+02 -0.103858D+02 -0.890860D+00
      2  -0.171748D-01  0.140431D+02  0.117769D+02  0.124974D+02  0.155847D+01
      3   0.197535D+01 -0.459145D+01  0.359058D+00 -0.211158D+01 -0.667611D+00
      4   0.192874D+01  0.732268D+01  0.990303D+01  0.514808D+01  0.280829D+00
      5   0.377104D+01  0.159360D+01  0.826069D+01  0.178977D+01  0.319015D+01
      6   0.209836D+01  0.423645D+01  0.877702D+01  0.614134D+01  0.881067D-01
                26            27            28            29            30 
      1  -0.515106D+01  0.363800D+01 -0.693504D+01 -0.500456D-01 -0.504397D+01
      2   0.463801D+01  0.111475D+02  0.216999D+01  0.465824D-01  0.506897D+01
      3   0.513050D+00 -0.147855D+02  0.476505D+01  0.346318D-02 -0.250009D-01
      4   0.348649D+01 -0.143855D+00 -0.288260D-01 -0.447369D+01  0.337264D+01
      5   0.483418D+00 -0.405096D+01 -0.302992D+01  0.204576D+01 -0.234451D+01
      6   0.526435D+01 -0.646870D+01  0.204662D+01  0.310749D+01 -0.800650D-02
                31            32            33            34            35 
      1  -0.123857D-01  0.219237D+01  0.336716D+01 -0.718329D+01  0.481028D+01
      2  -0.108014D-01 -0.696971D+01 -0.336838D+01  0.718459D+01 -0.480771D+01
      3   0.231870D-01  0.477735D+01  0.121626D-02 -0.130189D-02 -0.256601D-02
      4  -0.457190D+01 -0.159377D-01  0.508351D+01  0.484771D+01  0.715744D+01
      5   0.203594D+01  0.307800D+01  0.168591D-01  0.359673D+01  0.108485D-01
      6   0.307321D+01 -0.203492D+01 -0.233853D+01  0.901620D-02  0.357372D+01
                36            37            38            39            40 
      1  -0.594672D-01 -0.290019D+01  0.811757D+00  0.126806D+01  0.590799D+01
      2  -0.100072D+00 -0.429097D+01  0.245487D-01 -0.392086D+01 -0.766936D+01
      3   0.159540D+00  0.719116D+01 -0.836306D+00  0.265279D+01  0.176137D+01
      4   0.123710D-01  0.124238D+02 -0.480948D+01 -0.232153D+01 -0.769791D+01
      5  -0.980780D-02 -0.436801D+01  0.223037D+01  0.274350D+01  0.373967D+01
      6   0.258690D-01 -0.120162D+01 -0.103464D+01 -0.688718D+00  0.327941D+00
                41            42            43            44            45 
      1  -0.205739D+02  0.110307D+02  0.167733D+01  0.596903D+01  0.485122D+01
      2   0.217516D+02 -0.122215D+02 -0.889822D+00 -0.573703D+01  0.991939D+01
      3  -0.117769D+01  0.119075D+01 -0.787504D+00 -0.231996D+00 -0.147706D+02
      4   0.473758D+01 -0.388258D+01  0.264776D+00 -0.118489D+01  0.273935D+01
      5   0.326777D+01 -0.381276D+00  0.328105D+01  0.331082D+00 -0.124300D+01
      6  -0.127198D+02  0.713562D+01  0.714673D+00  0.513911D+01  0.753730D+01
                46            47            48            49            50 
      1   0.674872D+01  0.108756D+02  0.107642D+02  0.392363D+01  0.154095D+02
      2  -0.806002D+01 -0.571814D+01 -0.841073D+01 -0.136977D+01 -0.200918D+02
      3   0.131131D+01 -0.515744D+01 -0.235351D+01 -0.255386D+01  0.468231D+01
      4   0.102905D+02  0.118815D+02  0.758890D+01  0.782257D+01 -0.112197D+01
      5   0.679595D+01  0.421856D+01  0.559029D+01  0.228210D+01  0.579784D+01
      6   0.848129D+01  0.366337D+01  0.202129D+01  0.430814D+01 -0.249684D+01
                51            52            53            54            55 
      1   0.869335D+00  0.333558D+01  0.191589D+01  0.110346D+02  0.482369D+01
      2  -0.259043D+01 -0.392385D+01 -0.136458D+01  0.375283D+01 -0.543736D+01
      3   0.172109D+01  0.588271D+00 -0.551315D+00 -0.147875D+02  0.613670D+00
      4   0.313331D+01  0.452658D+01  0.115686D+01  0.842382D+00 -0.143396D+02
      5   0.235574D+01  0.515367D+01  0.365325D+00 -0.590232D+01 -0.138063D+02
      6   0.429975D+01  0.740749D+00  0.330708D+01 -0.482154D+01 -0.938577D+01
                56            57            58            59            60 
      1  -0.121816D+02 -0.159828D+02 -0.154428D+02 -0.203610D+02 -0.167879D+01
      2   0.122764D+01  0.677515D+01  0.221321D+01  0.122178D+02 -0.444231D+01
      3   0.109539D+02  0.920762D+01  0.132295D+02  0.814313D+01  0.612110D+01
      4  -0.242600D+02 -0.724723D+01 -0.279126D+02 -0.876773D+01 -0.189391D+02
      5  -0.350273D+01 -0.881438D+01 -0.562902D+01 -0.219337D+02  0.448739D+01
      6  -0.501674D+01 -0.189073D+00 -0.979835D+01 -0.532118D+01 -0.416390D+01
                61            62            63            64            65 
      1  -0.106283D+02  0.421163D+00 -0.530995D+01 -0.464364D+02  0.791037D+01
      2   0.334184D+01 -0.492525D+01  0.145876D+01  0.313375D+02 -0.228104D+01
      3   0.728647D+01  0.450409D+01  0.385119D+01  0.150990D+02 -0.562933D+01
      4  -0.507775D+01 -0.153511D+02  0.139540D+01 -0.252460D+00  0.103284D+02
      5  -0.759232D+01  0.242927D+01  0.116224D+01  0.260183D+02 -0.172872D+01
      6  -0.759097D+00 -0.448494D+01  0.209968D+01  0.997985D+00 -0.439839D+01
                66            67            68            69            70 
      1   0.243480D+02  0.131213D+02  0.168305D+02 -0.780223D+01  0.182059D+02
      2  -0.133070D+02 -0.521729D+01 -0.104897D+02  0.854146D+01 -0.967497D+01
      3  -0.110409D+02 -0.790399D+01 -0.634074D+01 -0.739226D+00 -0.853094D+01
      4   0.343311D+01  0.114478D+02 -0.453199D+01  0.105049D+02  0.322600D+00
      5  -0.503553D+01 -0.632414D+01  0.113195D+02 -0.513381D+01 -0.563293D+01
      6  -0.466916D+00 -0.189335D+01  0.908380D+01 -0.795893D+01 -0.120625D+00
                71            72            73            74            75 
      1  -0.669160D+01 -0.145861D+01  0.199412D+02 -0.185248D+01 -0.103349D+02
      2   0.754837D+01 -0.239369D+01 -0.187780D+02  0.118916D+01  0.947847D+01
      3  -0.856771D+00  0.385229D+01 -0.116317D+01  0.663322D+00  0.856424D+00
      4   0.851202D+01 -0.363247D+01  0.119266D+02 -0.917625D+01 -0.630540D+01
      5  -0.331471D+01 -0.219310D+01 -0.126620D+02 -0.172451D+01  0.723986D+01
      6  -0.644115D+01  0.965659D+00  0.745843D+00  0.441470D+01  0.225326D+00
                76            77            78            79            80 
      1   0.485019D+01 -0.758607D+01 -0.461541D+01 -0.509837D+01 -0.158003D+01
      2  -0.290685D+01  0.404606D+00  0.183654D+01  0.521700D+01  0.240123D+01
      3  -0.194334D+01  0.718147D+01  0.277888D+01 -0.118634D+00 -0.821203D+00
      4  -0.478248D+01  0.100095D+02 -0.377646D+01 -0.261903D+01 -0.427177D+00
      5  -0.289187D+01 -0.102367D+01 -0.120831D+00  0.500500D+01  0.950059D+00
      6   0.274952D+01 -0.362458D+01  0.267485D+01  0.566929D+00  0.347683D+01
                81            82            83            84            85 
      1   0.915030D+01  0.131529D+00  0.447873D+01  0.308229D+01  0.689064D+01
      2   0.563940D+01 -0.465285D+01 -0.973135D+01 -0.287942D+00 -0.952906D+01
      3  -0.147897D+02  0.452132D+01  0.525262D+01 -0.279435D+01  0.263841D+01
      4   0.331702D+01 -0.469866D+01  0.113832D+02 -0.990780D+01  0.450483D+01
      5   0.761571D+01  0.245977D+01 -0.915902D+00  0.387036D+01  0.110937D+01
      6  -0.262077D+00 -0.542371D+01  0.726988D+01 -0.185528D+01  0.710048D+01
                86            87            88            89            90 
      1   0.815132D+01  0.722876D+00 -0.109839D+01 -0.192479D+00  0.939278D+01
      2  -0.963931D+01 -0.950998D-01  0.298648D+00 -0.148085D+00  0.539445D+01
      3   0.148800D+01 -0.627776D+00  0.799737D+00  0.340564D+00 -0.147872D+02
      4  -0.195536D+02  0.780108D+01 -0.457882D+01  0.403423D+01 -0.318663D+01
      5   0.687218D+01 -0.215557D+01  0.449985D+01 -0.840072D+00 -0.357158D+01
      6  -0.499993D+01  0.604648D+01 -0.125183D+01  0.396105D+01  0.675456D+01
                91            92            93            94            95 
      1   0.527310D+01 -0.129616D+02 -0.112600D+02 -0.129050D+02 -0.116707D+01
      2   0.155941D+01  0.177451D+02  0.511111D+01  0.199600D+02 -0.144174D+02
      3  -0.683250D+01 -0.478357D+01  0.614892D+01 -0.705509D+01  0.155845D+02
      4  -0.875665D+01 -0.109821D+02  0.744187D+01 -0.150167D+02  0.330155D+02
      5  -0.950617D+01 -0.226172D+01 -0.967154D+01 -0.214363D+01 -0.179055D+02
      6   0.781000D+01 -0.371491D+01  0.248643D+01 -0.892686D+01  0.195000D+02
                96            97            98            99           100 
      1  -0.756844D+01 -0.862645D+01 -0.778137D+01 -0.531960D+01 -0.279382D+02
      2   0.167639D+02  0.362785D+01  0.147477D+02  0.146667D+01  0.112016D+02
      3  -0.919544D+01  0.499860D+01 -0.696632D+01  0.385292D+01  0.167366D+02
      4  -0.165258D+02  0.445709D+01 -0.115476D+02  0.141015D+01  0.316429D+02
      5  -0.221970D+01 -0.772448D+01 -0.109869D+01  0.258480D+00  0.229619D+02
      6  -0.333604D+01  0.210925D+01 -0.433748D+01 -0.239185D+01 -0.142703D+02
               101           102           103           104           105 
      1   0.190780D+02  0.200434D+02  0.158524D+02  0.910487D+01  0.557716D+01
      2  -0.151640D+02 -0.101428D+02 -0.142050D+02 -0.113240D+01 -0.104926D+02
      3  -0.391405D+01 -0.990057D+01 -0.164746D+01 -0.797248D+01  0.491543D+01
      4  -0.485046D+01 -0.138924D+02 -0.122278D+01 -0.104417D+02  0.754172D+01
      5  -0.670601D+01 -0.344952D+01 -0.151402D+01  0.764178D+01  0.328688D+01
      6  -0.407734D+01 -0.140926D+01 -0.352644D+01 -0.931269D+01 -0.951745D+01
               106           107           108           109           110 
      1   0.168952D+02  0.450859D+01  0.994984D+00 -0.130813D+01 -0.100980D+02
      2  -0.935125D+01 -0.856145D+01 -0.484076D+01  0.790749D+00  0.802083D+01
      3  -0.754396D+01  0.405286D+01  0.384577D+01  0.517384D+00  0.207716D+01
      4  -0.891472D+01  0.475070D+01  0.222805D+01 -0.223114D+02 -0.100156D+00
      5  -0.451952D+01  0.252315D+01 -0.241325D+01 -0.764858D+01  0.665628D+01
      6  -0.676559D+00 -0.754754D+01 -0.366225D-01  0.581435D+01  0.258618D+01
               111           112           113           114           115 
      1  -0.233910D+01 -0.121174D+02 -0.636365D+01  0.207493D+01 -0.131321D+01
      2   0.263932D+01  0.743108D+01  0.858998D+00  0.826990D+00  0.112794D+01
      3  -0.300220D+00  0.468628D+01  0.550465D+01 -0.290192D+01  0.185273D+00
      4   0.869658D+01  0.687742D+01 -0.399418D+01 -0.895445D+01  0.437074D+01
      5   0.650758D+01  0.709027D+01 -0.384694D+01 -0.148487D+01  0.423029D+01
      6  -0.179900D+01  0.588435D+00  0.208110D+01  0.337947D+01 -0.885211D+00
               116           117           118           119           120 
      1   0.131137D+01  0.627532D+01  0.802779D+02 -0.120465D+01 -0.205034D+02
      2  -0.210928D+01  0.850297D+01 -0.461990D+02  0.175783D+01  0.140339D+02
      3   0.797908D+00 -0.147783D+02 -0.340789D+02 -0.553175D+00  0.646956D+01
      4  -0.363252D+01 -0.357457D+01  0.993641D+01  0.841696D+01 -0.230031D+01
      5  -0.126521D+01  0.715634D+01 -0.319040D+02  0.457803D+00  0.187764D+02
      6   0.422598D+01 -0.271626D+01 -0.344766D+01 -0.179171D+01  0.295364D+01
               121           122           123           124           125 
      1  -0.135960D+02  0.696284D+01  0.477365D+01 -0.169100D+02  0.113267D+01
      2   0.934552D+01 -0.371545D+01 -0.451694D+01  0.135872D+02 -0.183490D+01
      3   0.425045D+01 -0.324739D+01 -0.256706D+00  0.332285D+01  0.702224D+00
      4   0.923289D+01 -0.100718D+01 -0.440246D+01 -0.255474D+01 -0.353085D+01
      5   0.586931D+01 -0.556618D+01 -0.276355D+01  0.217657D+02  0.136219D+00
      6  -0.244899D+01 -0.870495D+00  0.268869D+01  0.303025D+01  0.272908D+01
               126           127           128           129           130 
      1   0.126822D+02  0.100211D+01  0.516643D+01 -0.721783D+01  0.515585D+01
      2  -0.105951D+02  0.205071D+00 -0.362801D+01  0.358185D+01 -0.179209D+01
      3  -0.208710D+01 -0.120718D+01 -0.153842D+01  0.363598D+01 -0.336376D+01
      4   0.201708D+01  0.175914D+01 -0.610443D-01 -0.120808D+01  0.763987D+01
      5  -0.132545D+02 -0.465090D+01 -0.700860D+00  0.404712D+00 -0.385239D+01
      6  -0.164942D+01 -0.320445D+01  0.275849D+01 -0.207448D+01 -0.218311D+01
               131           132           133           134           135 
      1  -0.130527D+02  0.723026D+01 -0.652821D+01  0.521595D+01 -0.639107D+01
      2   0.180137D+02 -0.590721D+01  0.372918D+01 -0.318371D+01  0.160628D+01
      3  -0.496101D+01 -0.132304D+01  0.279903D+01 -0.203224D+01  0.478479D+01
      4   0.222528D+02 -0.102907D+02 -0.458437D+01 -0.862538D+01  0.781247D+01
      5  -0.102941D+02  0.122026D+02  0.518659D+01  0.822583D+01 -0.106878D+02
      6  -0.164639D+02  0.127092D+02  0.150645D+01  0.108988D+02 -0.108278D+02
               136           137           138           139           140 
      1   0.335523D+02  0.161560D+02  0.965039D+01  0.203674D+02  0.115019D+02
      2  -0.126829D+02 -0.319268D+01 -0.467659D+01 -0.259512D+01  0.495409D+01
      3  -0.208695D+02 -0.129633D+02 -0.497380D+01 -0.177723D+02 -0.164560D+02
      4   0.305765D+02  0.229132D+02  0.932625D+01  0.327780D+02  0.333333D+02
      5   0.178969D+02  0.921056D+01  0.128997D+02  0.131064D+02  0.144405D+02
      6   0.800803D+01  0.577617D+01  0.488044D+01  0.958984D+01  0.113551D+02
               141           142           143           144           145 
      1   0.372794D+01  0.845871D+01  0.223441D+01  0.600335D+01  0.146683D+02
      2   0.411725D+00 -0.539772D+01 -0.773022D+00 -0.391757D+01 -0.968222D+01
      3  -0.413967D+01 -0.306100D+01 -0.146138D+01 -0.208578D+01 -0.498610D+01
      4   0.142476D+02  0.972175D+01  0.104176D+02  0.107125D+02 -0.499380D+01
      5   0.105996D+02  0.162343D+02  0.102249D+02  0.115118D+02  0.118845D+02
      6   0.855096D+01  0.732938D+01  0.824832D+01  0.675252D+01 -0.769298D+00
               146           147           148           149           150 
      1  -0.592903D+01  0.809747D+01 -0.140611D+02  0.775922D+01 -0.334531D+01
      2   0.439871D+01 -0.601031D+01  0.106955D+02 -0.654431D+01  0.660453D+01
      3   0.153032D+01 -0.208717D+01  0.336554D+01 -0.121491D+01 -0.325922D+01
      4   0.783718D+01 -0.159186D+01  0.107241D+02 -0.158276D+02  0.101334D+02
      5  -0.372412D+01  0.987177D+01 -0.923880D+01  0.119631D+02 -0.143868D+02
      6   0.201691D+01 -0.116001D+00  0.401113D+01 -0.573004D+01  0.326058D+01
               151           152           153           154           155 
      1   0.948776D+01 -0.582163D+00  0.412724D+01  0.569900D+01 -0.487841D+01
      2  -0.849578D+01  0.389572D+01 -0.889649D+01  0.366541D+01 -0.515515D+01
      3  -0.991985D+00 -0.331356D+01  0.476924D+01 -0.936442D+01  0.100336D+02
      4  -0.836563D+00  0.729068D+01 -0.588219D+01 -0.170114D+02  0.193843D+02
      5   0.120121D+02 -0.737455D+01  0.150682D+02  0.761215D+01 -0.573465D+01
      6  -0.657769D+00  0.408789D+01 -0.208763D+01 -0.647825D+01  0.492023D+01
               156           157           158           159           160 
      1   0.349468D+01 -0.157969D+01 -0.135627D+02  0.595028D+01  0.172271D+01
      2  -0.484237D+00 -0.132572D+02  0.415338D+02 -0.116824D+02  0.547985D+00
      3  -0.301045D+01  0.148368D+02 -0.279711D+02  0.573213D+01 -0.227070D+01
      4  -0.647962D+01  0.276268D+02 -0.468820D+02  0.148658D+02 -0.766291D+01
      5   0.679850D+01 -0.787134D+01  0.148758D+02 -0.987365D+01  0.886427D+01
      6  -0.416175D+01  0.993187D+01 -0.238161D+02  0.146716D+02 -0.758916D+01
               161           162           163           164           165 
      1   0.531659D+01 -0.302350D+01  0.247852D+02  0.664302D+01  0.100649D+02
      2  -0.784490D+01  0.511131D+01 -0.186509D+02 -0.716405D+01 -0.938986D+01
      3   0.252831D+01 -0.208781D+01 -0.613423D+01  0.521029D+00 -0.675064D+00
      4   0.123077D+02 -0.110902D+02 -0.316877D+01  0.574287D+01 -0.217376D+01
      5  -0.104840D+02  0.806077D+01  0.165950D+02  0.281636D+01  0.140237D+02
      6   0.156325D+02 -0.106517D+02 -0.295363D+01  0.195849D+01 -0.434352D+01
               166           167           168           169           170 
      1   0.146854D+02  0.664025D+01  0.562054D+01  0.881216D+01  0.184263D+01
      2  -0.133838D+02 -0.661284D+01 -0.944379D+01 -0.917159D+01 -0.529324D+01
      3  -0.130160D+01 -0.274037D-01  0.382324D+01  0.359431D+00  0.345061D+01
      4   0.269709D+01  0.421735D+01  0.485617D+01 -0.396452D+01  0.551348D+01
      5   0.867116D+01  0.791945D+01  0.993333D+01  0.136900D+02  0.339916D+01
      6   0.169612D+01 -0.175277D+00 -0.895846D+00 -0.332375D+01  0.240950D+01
               171           172           173           174           175 
      1   0.636780D+01  0.559351D+02 -0.139010D+02 -0.152514D+02 -0.385046D+01
      2  -0.111605D+02 -0.250505D+02  0.190633D+01  0.918141D+01 -0.333618D+01
      3   0.479271D+01 -0.308847D+02  0.119947D+02  0.606995D+01  0.718664D+01
      4  -0.447420D+00 -0.434396D+02  0.216233D+02  0.128380D+02  0.151272D+02
      5   0.147408D+02 -0.273503D+02  0.822742D+01  0.163359D+02  0.297317D+01
      6  -0.385009D+01  0.130297D+02 -0.565969D+01 -0.860758D+01 -0.419170D+01
               176           177           178           179           180 
      1   0.492132D+01 -0.746934D+00 -0.110408D+02  0.111581D+01  0.784573D+01
      2   0.153427D+01  0.297917D+01  0.824551D+01  0.801050D+00 -0.575408D+01
      3  -0.645559D+01 -0.223224D+01  0.279531D+01 -0.191686D+01 -0.209165D+01
      4  -0.113607D+02 -0.512378D+01  0.110602D+02 -0.614310D+01 -0.964611D+01
      5  -0.557556D+01 -0.288943D+01  0.178461D+02 -0.639477D+01 -0.115922D+02
      6   0.527941D+01  0.510698D+01 -0.928803D+01  0.663074D+01  0.658204D+01
               181           182           183           184           185 
      1  -0.477727D+01 -0.119843D+02 -0.923903D+01 -0.680006D+01 -0.197946D+02
      2   0.481326D+01  0.124922D+02  0.536817D+01  0.546323D+01  0.259577D+02
      3  -0.359927D-01 -0.507867D+00  0.387087D+01  0.133683D+01 -0.616310D+01
      4   0.183958D+01  0.342037D+00  0.331677D+01  0.517920D+01 -0.819095D+01
      5  -0.153510D+01  0.100945D+01 -0.136632D+01  0.205353D+01 -0.476599D+01
      6   0.642771D+01  0.754526D+01  0.789508D+01  0.176985D+01  0.174804D+02
               186           187           188           189           190 
      1  -0.978332D+01 -0.551435D+01 -0.863380D+01 -0.107339D+02 -0.130985D+01
      2   0.996666D+01  0.214225D+01  0.783662D+01  0.596165D+01  0.138646D+02
      3  -0.183333D+00  0.337210D+01  0.797179D+00  0.477230D+01 -0.125548D+02
      4  -0.423095D+01  0.517400D+01 -0.554077D+01 -0.270320D+01  0.249764D+02
      5  -0.637883D+01  0.259574D+01 -0.478597D+01 -0.573739D+01  0.772714D+01
      6   0.145046D+02  0.193176D+01  0.135102D+02  0.141038D+02  0.127402D+02
               191           192           193           194           195 
      1  -0.824029D+01 -0.229477D+01 -0.635592D+01 -0.220410D+02 -0.721191D+01
      2   0.249114D+02  0.575041D+01  0.182274D+02  0.468015D+02  0.126836D+02
      3  -0.166711D+02 -0.345564D+01 -0.118715D+02 -0.247604D+02 -0.547170D+01
      4   0.288834D+02  0.122971D+02  0.198256D+02  0.299515D+02  0.884613D+01
      5   0.808531D+01  0.663217D+01  0.481007D+01  0.727429D+01  0.406171D+01
      6   0.134576D+02  0.978308D+01  0.909910D+01  0.218774D+02  0.148391D+02
               196           197           198           199           200 
      1  -0.238774D+01 -0.806147D+01 -0.652112D+01 -0.357062D+01  0.807679D+01
      2   0.344031D+01  0.112883D+02  0.860554D+01  0.546713D+01 -0.118368D+02
      3  -0.105257D+01 -0.322682D+01 -0.208442D+01 -0.189651D+01  0.376005D+01
      4   0.860899D+01  0.880837D+01  0.907206D+01 -0.198755D+02  0.119782D+02
      5   0.612033D+01  0.600472D+01  0.520003D+01 -0.815339D+01  0.441056D+01
      6   0.889997D+01  0.183756D+02  0.123040D+02  0.126894D+02 -0.849674D+01
               201           202           203           204           205 
      1   0.448281D+01  0.277070D+01 -0.660769D+01 -0.481836D+01  0.296157D+01
      2  -0.151185D+01 -0.470385D+01  0.108771D+02  0.730938D+01  0.201464D+00
      3  -0.297096D+01  0.193314D+01 -0.426944D+01 -0.249103D+01 -0.316304D+01
      4   0.114209D+02  0.733320D+01 -0.521492D+01 -0.188657D+01  0.796454D+01
      5   0.525082D+01  0.171014D+01 -0.140489D+01 -0.720680D+00  0.526077D+01
      6  -0.149979D+02 -0.329245D+01  0.101057D+02  0.787284D+01 -0.826601D+01
               206           207           208           209           210 
      1  -0.764978D+01 -0.716352D+01 -0.479940D+01  0.120748D+02 -0.502290D+01
      2   0.905835D+01  0.237613D+01  0.905226D+01 -0.202509D+02  0.612133D+01
      3  -0.140857D+01  0.478740D+01 -0.425286D+01  0.817607D+01 -0.109843D+01
      4  -0.210960D+01 -0.736712D+01 -0.506152D+01  0.121054D+02 -0.569265D+01
      5  -0.154512D+01 -0.403516D+01  0.524634D+00 -0.321648D+01  0.293398D+01
      6   0.108354D+02  0.146832D+02 -0.681400D+01  0.881692D+01 -0.484165D+01
               211           212           213           214           215 
      1   0.503062D+01 -0.451101D+02  0.134921D+02 -0.265348D+01  0.134894D+02
      2  -0.839906D+01  0.782101D+02 -0.198719D+02  0.239002D+01 -0.168770D+02
      3   0.336844D+01 -0.331000D+02  0.637979D+01  0.263458D+00  0.338760D+01
      4   0.873519D+01 -0.402319D+01  0.150599D+01 -0.395085D+01  0.964340D+00
      5  -0.186168D+01  0.706102D-01  0.874330D+00  0.264158D+01  0.517213D+00
      6   0.353714D+01 -0.308694D+02  0.185114D+02 -0.237560D+01  0.218354D+02
               216           217           218           219           220 
      1  -0.107108D+02  0.124531D+02 -0.201074D+01 -0.347696D+01 -0.180166D+01
      2   0.128013D+02 -0.817938D+01  0.579409D+01  0.524673D+01  0.374112D+01
      3  -0.209051D+01 -0.427368D+01 -0.378336D+01 -0.176977D+01 -0.193946D+01
      4  -0.105755D+01  0.244318D+02  0.949526D+01 -0.115657D+02  0.180699D+01
      5   0.909271D-01 -0.149261D+02 -0.328574D+01  0.111944D+02  0.119255D+01
      6  -0.133362D+02 -0.116511D+02 -0.499988D+01  0.136313D+02 -0.120482D+01
               221           222           223           224           225 
      1  -0.101379D+01  0.328493D+01 -0.142172D+01  0.461971D+01 -0.549837D+00
      2   0.293664D+01 -0.672838D+01  0.379751D+01 -0.713818D+01 -0.422155D+01
      3  -0.192284D+01  0.344345D+01 -0.237579D+01  0.251847D+01  0.477139D+01
      4   0.272284D+01 -0.129566D+01 -0.893684D+01 -0.431891D+01  0.858094D+01
      5  -0.262420D+01 -0.645702D+00  0.954936D+01  0.207862D+01 -0.934812D+01
      6  -0.575805D+01  0.193457D+01  0.879832D+01  0.655947D+01 -0.120222D+02
               226           227           228           229           230 
      1   0.120460D+02  0.223161D+01 -0.159568D+01 -0.210631D+01  0.169836D+01
      2  -0.400847D+01 -0.814949D+01  0.446509D+00 -0.152175D+01  0.312434D+01
      3  -0.803748D+01  0.591788D+01  0.114917D+01  0.362806D+01 -0.482271D+01
      4  -0.230360D+02  0.107691D+02 -0.435241D+01  0.893981D+01 -0.686272D+01
      5   0.105851D+02 -0.471149D+01  0.466316D+01 -0.240561D+01  0.132690D+01
      6  -0.374656D+01  0.684446D+01 -0.576947D+01  0.148296D+01 -0.190300D+00
               231           232           233           234           235 
      1  -0.106452D+01 -0.105057D+01 -0.346216D+01  0.120129D+01 -0.465272D+00
      2   0.111223D+01 -0.156058D+01  0.613351D+01 -0.325618D+01 -0.216256D+01
      3  -0.477085D-01  0.261114D+01 -0.267135D+01  0.205490D+01  0.262784D+01
      4   0.142356D+01  0.224086D+01 -0.540188D+00 -0.292768D+01 -0.129974D+01
      5  -0.132459D+01  0.222968D+01 -0.581898D+00  0.171343D+01  0.154603D+01
      6   0.145548D+01 -0.240402D+01 -0.568109D+00 -0.496691D+00 -0.231475D+01
               236           237           238           239           240 
      1  -0.295857D+01  0.187033D+01 -0.168572D+01  0.918468D+00 -0.143546D+01
      2   0.283006D+01 -0.633841D+00  0.985792D+00 -0.339712D+01 -0.310775D+01
      3   0.128511D+00 -0.123648D+01  0.699930D+00  0.247865D+01  0.454321D+01
      4   0.252747D+01 -0.298532D+01  0.396304D+00 -0.271484D+00  0.432168D-01
      5  -0.957988D+00  0.496327D+01 -0.717501D-01 -0.115996D+01  0.107126D+01
      6  -0.116672D+01  0.106248D+01 -0.765617D+00  0.348844D+00  0.132360D+01
               241           242           243           244           245 
      1  -0.100362D+01  0.668197D+01 -0.166475D+02  0.285862D+02 -0.213584D+01
      2  -0.312664D+01 -0.413025D+01 -0.182583D+02 -0.176293D+02  0.551062D+01
      3   0.413026D+01 -0.255172D+01  0.349058D+02 -0.109569D+02 -0.337478D+01
      4  -0.402922D+01  0.268131D+00 -0.321246D+01  0.159640D+02  0.686825D+01
      5   0.452802D+01 -0.103908D+01  0.554828D+01  0.131891D+02  0.202384D+01
      6  -0.349641D+01  0.802332D+01 -0.226581D+02  0.118567D+01  0.386895D+01
               246           247           248           249           250 
      1   0.230519D+01 -0.690724D+00  0.418731D+01  0.936792D+00 -0.188020D+01
      2  -0.339025D+01  0.177745D+01 -0.227356D+01 -0.536234D+00 -0.156196D+01
      3   0.108506D+01 -0.108672D+01 -0.191375D+01 -0.400559D+00  0.344216D+01
      4   0.358537D+01  0.168627D+01 -0.260341D-01 -0.124414D+01 -0.309181D+01
      5   0.668849D+01 -0.214891D+01 -0.709856D+00 -0.856655D+00  0.286461D+01
      6   0.358751D+01 -0.196159D+00 -0.211774D+01 -0.594742D+00  0.972310D+00
               251           252           253           254           255 
      1   0.259532D+01  0.262305D+01  0.218546D+01  0.318855D+01  0.399208D+01
      2  -0.406428D+01 -0.466953D+01 -0.449735D+01 -0.313069D+01 -0.112073D+01
      3   0.146896D+01  0.204648D+01  0.231189D+01 -0.578567D-01 -0.287135D+01
      4  -0.282408D+01  0.482699D+00 -0.251085D+00 -0.710201D+00  0.136588D+01
      5  -0.856023D+00  0.176086D+01  0.187812D+01 -0.838133D+00  0.367657D+01
      6  -0.121486D+01 -0.214306D+00  0.565583D+00 -0.162425D+01 -0.202574D+01
               256           257           258           259           260 
      1   0.867752D+00 -0.150070D+01  0.195595D+00 -0.461238D+00 -0.511296D+01
      2  -0.233929D+00 -0.129191D+01  0.352071D+01 -0.434194D+01  0.434551D+01
      3  -0.633823D+00  0.279262D+01 -0.371630D+01  0.480317D+01  0.767444D+00
      4  -0.111856D+01 -0.760917D+00  0.104088D+00  0.347234D+01  0.290218D+01
      5  -0.150753D+01 -0.764483D+00 -0.205206D+01  0.665026D+01  0.160621D+01
      6  -0.921473D+00  0.110828D+01  0.261377D+01  0.406907D+01  0.589916D+01
               261           262           263           264           265 
      1  -0.146020D+02  0.220101D+02  0.821061D+01 -0.242494D+01  0.136723D+02
      2  -0.203006D+02 -0.122671D+02 -0.557738D+01  0.304825D+01 -0.874458D+01
      3   0.349025D+02 -0.974298D+01 -0.263323D+01 -0.623313D+00 -0.492773D+01
      4   0.170178D+01  0.916634D+01  0.100943D+02 -0.208566D+01  0.626294D+01
      5   0.138179D+02 -0.741531D+01 -0.314208D+01  0.532305D+01 -0.892727D+01
      6   0.187833D+02 -0.348285D+01 -0.354164D+01  0.936214D+00 -0.286481D+01
               266           267           268           269           270 
      1   0.663219D+01 -0.287700D+01  0.532304D+01  0.810182D+00  0.382519D+00
      2  -0.353450D+01  0.385166D+01 -0.170526D+01  0.117298D+00 -0.243922D+01
      3  -0.309769D+01 -0.974659D+00 -0.361778D+01 -0.927481D+00  0.205670D+01
      4   0.121476D+02 -0.297578D+00 -0.292587D+01  0.272979D+01  0.339655D+01
      5  -0.195932D+01  0.539269D+01  0.141538D+01  0.287168D+01 -0.128202D+01
      6  -0.486560D+01  0.787227D+00  0.104684D+01  0.248487D+00 -0.123751D+01
               271           272           273           274           275 
      1  -0.135740D+01  0.453421D+00 -0.365165D+01  0.122904D+01 -0.134066D+01
      2  -0.799223D+00 -0.243795D-01 -0.905071D+00 -0.137123D+01 -0.160643D+01
      3   0.215662D+01 -0.429042D+00  0.455672D+01  0.142197D+00  0.294709D+01
      4   0.406964D+01 -0.194895D+00 -0.679996D+00  0.222380D+01 -0.682758D+00
      5   0.474251D+00 -0.124608D+01  0.130610D+01 -0.133825D+01 -0.236271D+01
      6  -0.225891D+00 -0.419193D+00  0.103667D+01 -0.138675D+01  0.881327D+00
               276           277           278           279           280 
      1  -0.872855D+00 -0.188318D+01  0.482529D-01 -0.150824D+02 -0.428234D+01
      2   0.206393D+01  0.614849D+01  0.224338D+01 -0.198253D+02  0.653167D+01
      3  -0.119107D+01 -0.426530D+01 -0.229163D+01  0.349077D+02 -0.224933D+01
      4  -0.258096D+01  0.247152D+01 -0.480738D+01  0.229987D+01  0.887000D+01
      5   0.103737D+01  0.910340D+01  0.843963D+00 -0.223795D+02 -0.391371D+01
      6   0.498228D+01 -0.160703D+01  0.344232D+01  0.653052D+01 -0.989903D+00
               281           282           283           284           285 
      1  -0.869323D+01  0.330870D+01 -0.666477D+01 -0.162542D+02  0.393358D+01
      2   0.126466D+02 -0.242688D+01  0.832172D+01  0.269050D+02 -0.319137D+01
      3  -0.395342D+01 -0.881816D+00 -0.165695D+01 -0.106508D+02 -0.742214D+00
      4   0.373843D+01  0.756055D+00  0.855698D+01  0.597225D+01 -0.120721D+01
      5  -0.186230D+01  0.419719D-01 -0.328803D+01 -0.313965D+01  0.243931D+00
      6  -0.830627D+01  0.469018D+01 -0.266424D+01 -0.932459D+01  0.604023D+01
               286           287           288           289           290 
      1  -0.491450D+00 -0.937159D+00 -0.326049D+01 -0.119565D+01 -0.183164D+01
      2   0.935077D+00  0.466060D+01  0.122009D+01 -0.177744D+01  0.157725D+01
      3  -0.443627D+00 -0.372344D+01  0.204040D+01  0.297309D+01  0.254390D+00
      4   0.301103D+01 -0.336554D+01  0.291794D+01 -0.807235D+00  0.117442D+01
      5  -0.247757D+00  0.824848D+00 -0.106374D+01  0.133497D+01 -0.990216D+00
      6   0.265313D+01  0.189096D+01 -0.141537D+01 -0.182946D+01 -0.182104D+01
               291           292           293           294           295 
      1   0.277798D+01  0.119109D+00 -0.210299D+01 -0.400637D+00  0.273490D+01
      2  -0.974547D+00  0.205994D+00 -0.317478D-01 -0.392235D+01 -0.984726D+00
      3  -0.180343D+01 -0.325103D+00  0.213474D+01  0.432299D+01 -0.175018D+01
      4  -0.206331D+01 -0.876635D+00  0.412083D+01 -0.576292D+00 -0.478057D+01
      5   0.463691D+01 -0.458456D-01 -0.447695D+00  0.146585D+01  0.362497D+01
      6   0.150819D+01 -0.158574D+01  0.162479D-01  0.165561D+01  0.145454D+00
               296           297           298           299           300 
      1   0.580347D+01 -0.203571D+02 -0.310463D+01  0.364495D+01  0.355012D+00
      2  -0.124890D+01 -0.145285D+02  0.460591D+01 -0.379985D+01  0.177084D+00
      3  -0.455457D+01  0.348856D+02 -0.150128D+01  0.154903D+00 -0.532097D+00
      4   0.282192D+01  0.162047D+01 -0.194486D+01  0.468523D+00 -0.173293D+01
      5  -0.232711D+01  0.934799D+01 -0.247746D+01 -0.157179D+00 -0.819739D+00
      6   0.893610D+01 -0.213822D+02 -0.783359D+00 -0.400541D+01 -0.184608D+01
               301           302           303           304           305 
      1   0.595718D+01 -0.200266D+02 -0.423340D+01 -0.308300D+01 -0.120839D+01
      2  -0.381724D+01  0.313796D+02  0.321160D+01  0.207797D+01 -0.238500D+01
      3  -0.213994D+01 -0.113529D+02  0.102180D+01  0.100503D+01  0.359339D+01
      4   0.612601D+01  0.105342D+02  0.253706D+01 -0.317512D+01 -0.337200D+01
      5   0.332794D+01 -0.782427D-01  0.260868D+01 -0.116005D+01  0.446087D+00
      6   0.674376D+00  0.130795D+02  0.693438D+01 -0.137877D+01  0.281884D+01
               306           307           308           309           310 
      1  -0.467615D+01 -0.796235D+00  0.525154D+00  0.359571D+01 -0.238757D+01
      2   0.262028D+01 -0.207512D+01  0.297739D-01 -0.275690D+00  0.237318D+01
      3   0.205587D+01  0.287136D+01 -0.554928D+00 -0.332002D+01  0.143936D-01
      4  -0.466240D+00 -0.373210D+00 -0.112302D+01  0.438344D+00 -0.141295D+01
      5  -0.430767D+00  0.146558D+01 -0.564511D+00  0.315823D+01 -0.135821D+01
      6   0.173467D+01 -0.233965D+00 -0.189617D+01 -0.211384D+01 -0.132952D+01
               311           312           313           314           315 
      1  -0.461638D+01 -0.906289D+00  0.407347D+01 -0.465299D+01 -0.206314D+02
      2   0.238515D+01  0.426852D+01 -0.421844D+01 -0.180306D+00 -0.142819D+02
      3   0.223124D+01 -0.336223D+01  0.144971D+00  0.483329D+01  0.349133D+02
      4  -0.145805D+01  0.727578D+00  0.361836D+01  0.335124D+01  0.896915D+00
      5   0.447593D-01 -0.211738D+01  0.518727D+01  0.386226D+01  0.168418D+02
      6   0.153210D+01  0.311962D+01  0.141592D+01  0.734934D+01  0.160997D+02
               316           317           318           319           320 
      1   0.671162D+01 -0.322353D+01  0.505872D+00 -0.101442D+02  0.389299D+00
      2  -0.600031D+00 -0.661931D+00 -0.314657D+00  0.397491D+01  0.636940D+01
      3  -0.611159D+01  0.388546D+01 -0.191216D+00  0.616933D+01 -0.675870D+01
      4  -0.904906D+01  0.107182D+02  0.215007D+01  0.110849D+02 -0.217285D+02
      5  -0.162566D+01  0.223156D+01  0.241122D+01  0.785063D+01 -0.382729D+01
      6   0.219702D+01 -0.322478D+01 -0.161678D+01 -0.480071D+01  0.909126D+01
               321           322           323           324           325 
      1   0.161283D+01  0.633790D+01 -0.132409D+01 -0.242630D+01 -0.360411D+01
      2  -0.274642D+01 -0.334545D+01 -0.916362D+00  0.375680D+00  0.122622D+01
      3   0.113359D+01 -0.299245D+01  0.224045D+01  0.205062D+01  0.237789D+01
      4  -0.368915D+01  0.436546D+00  0.218262D+01 -0.339996D+01 -0.133419D+01
      5  -0.605847D+01 -0.133921D+00 -0.270883D+01 -0.705673D+00  0.670691D+00
      6   0.369004D+01 -0.885905D+00  0.180117D+01  0.163910D+01 -0.906991D+00
               326           327           328           329           330 
      1   0.612097D+00 -0.308379D+01  0.184357D+01 -0.144145D+01 -0.219333D+00
      2  -0.127602D+01 -0.157763D+01 -0.193551D+01 -0.128867D+01  0.855903D+00
      3   0.663928D+00  0.466142D+01  0.919376D-01  0.273013D+01 -0.636570D+00
      4   0.743780D+00  0.242608D+00  0.320808D+01 -0.953312D+00 -0.320018D+01
      5  -0.336869D+00  0.111078D+01 -0.612378D+00 -0.267631D+01  0.554718D+00
      6  -0.454306D+00  0.564629D+00 -0.138509D+01  0.102341D+01  0.517409D+01
               331           332           333 
      1  -0.371477D+01 -0.255733D+01 -0.174046D+02
      2   0.677733D+01 -0.120740D+01 -0.175008D+02
      3  -0.306255D+01  0.376473D+01  0.349054D+02
      4  -0.586353D+00 -0.427787D+01 -0.331069D+01
      5   0.854570D+01 -0.296749D+01 -0.231744D+02
      6  -0.510103D+00  0.400374D+01  0.255566D+01
 Leave Link  716 at Tue Jul 20 04:10:15 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157122D+03 -0.266570D-02 -0.512744D-04
      2  -0.266570D-02  0.157116D+03 -0.338472D-02
      3  -0.512744D-04 -0.338472D-02  0.129330D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.360291D+01  0.365481D-01 -0.212952D-02
      2  -0.182143D-01 -0.358379D+01  0.419900D-03
      3  -0.999161D-02 -0.146339D-01 -0.214747D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.612815D+02  0.916525D+02  0.103060D-01
      2  -0.613000D+02 -0.916499D+02 -0.168346D-01
      3   0.185172D-01 -0.260337D-02  0.652862D-02
      4   0.916350D+02 -0.613253D+02  0.239618D-02
      5  -0.179088D-01  0.550735D+01  0.414594D-02
      6  -0.550344D+01 -0.392893D-01 -0.124497D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.270731D+01 -0.959740D+00 -0.251324D+01 -0.113882D+01 -0.280583D+01
      2  -0.959740D+00 -0.446106D+01  0.945075D+00 -0.280583D+01  0.695590D+01
      3  -0.251324D+01  0.945075D+00  0.781331D+00  0.380027D+00 -0.365877D+01
                 6             7             8             9            10 
      1   0.380027D+00 -0.196165D+01  0.652790D+00  0.907439D+00 -0.137796D+01
      2  -0.365877D+01  0.652790D+00 -0.258218D+01  0.748336D+00  0.357200D+01
      3   0.619807D+00  0.907439D+00  0.748336D+00  0.219259D+00  0.315268D+01
                11            12            13            14            15 
      1   0.357200D+01  0.315268D+01  0.276717D+01  0.376485D+01  0.594036D+00
      2   0.522559D+01  0.115812D+01  0.376485D+01  0.192000D+01  0.302220D+01
      3   0.115812D+01 -0.481153D+00  0.594036D+00  0.302220D+01  0.877271D+00
                16            17            18            19            20 
      1   0.251664D+01  0.682241D+00 -0.550639D+00  0.715136D+00 -0.212530D+01
      2   0.682241D+00  0.203092D+01  0.104174D+01 -0.212530D+01 -0.235859D+01
      3  -0.550639D+00  0.104174D+01 -0.219976D+00 -0.179738D+01 -0.737955D+00
                21            22            23            24            25 
      1  -0.179738D+01 -0.350398D+01 -0.519809D+01 -0.207186D+01 -0.220448D+01
      2  -0.737955D+00 -0.519809D+01 -0.643287D+01 -0.446019D+01 -0.124432D+01
      3  -0.102552D+01 -0.207186D+01 -0.446019D+01 -0.185819D+01 -0.145497D+01
                26            27            28            29            30 
      1  -0.124432D+01 -0.145497D+01 -0.109849D+01 -0.160667D+01 -0.286752D-02
      2  -0.251713D+01 -0.163115D+01 -0.160667D+01  0.105930D+01 -0.169263D+01
      3  -0.163115D+01  0.147793D+01 -0.286752D-02 -0.169263D+01 -0.537773D-02
                31            32            33            34            35 
      1  -0.162781D+01  0.109048D+01  0.170120D+01  0.147378D-01 -0.654228D-02
      2   0.109048D+01  0.162682D+01 -0.115903D-01 -0.654228D-02  0.100741D-01
      3   0.170120D+01 -0.115903D-01  0.373556D-02 -0.196785D-02 -0.643433D-03
                36            37            38            39            40 
      1  -0.196785D-02 -0.173024D+01  0.628763D+00  0.119289D+01  0.444384D+00
      2  -0.643433D-03  0.628763D+00 -0.556918D+00  0.615571D+00  0.259539D+01
      3  -0.138849D-02  0.119289D+01  0.615571D+00  0.236607D+00 -0.717720D+00
                41            42            43            44            45 
      1   0.259539D+01 -0.717720D+00  0.137046D+01 -0.769108D+00  0.721937D+00
      2  -0.102389D+02  0.506655D+01 -0.769108D+00  0.334428D+01 -0.206309D+01
      3   0.506655D+01 -0.210399D+01  0.721937D+00 -0.206309D+01 -0.147908D+01
                46            47            48            49            50 
      1   0.476862D+01  0.502743D+01  0.405419D+01  0.240835D+01  0.313593D+01
      2   0.502743D+01  0.487273D+01  0.236719D+01  0.313593D+01  0.521661D+00
      3   0.405419D+01  0.236719D+01  0.170789D+01  0.103844D+01  0.220181D+01
                51            52            53            54            55 
      1   0.103844D+01  0.219433D+01  0.124039D+01  0.143050D+01 -0.410581D+00
      2   0.220181D+01  0.124039D+01  0.253196D+01  0.166236D+01 -0.293155D+01
      3   0.126450D+01  0.143050D+01  0.166236D+01 -0.147566D+01 -0.279497D+01
                56            57            58            59            60 
      1  -0.293155D+01 -0.279497D+01 -0.428088D+01 -0.472760D+01 -0.111109D+01
      2  -0.374000D+01 -0.544181D+00 -0.472760D+01 -0.145695D+00 -0.337376D+01
      3  -0.544181D+00 -0.928912D+00 -0.111109D+01 -0.337376D+01  0.362315D+00
                61            62            63            64            65 
      1  -0.185912D+01 -0.594716D+00 -0.110365D+01 -0.801138D+01  0.140795D+01
      2  -0.594716D+00 -0.268206D+01  0.409014D+00  0.140795D+01  0.201889D+01
      3  -0.110365D+01  0.409014D+00  0.221399D+00  0.381336D+01 -0.210652D+00
                66            67            68            69            70 
      1   0.381336D+01  0.308388D+01  0.205593D+01 -0.777341D+00  0.274216D+01
      2  -0.210652D+00  0.205593D+01 -0.208834D+01  0.236089D+01 -0.550530D+00
      3  -0.519282D+00 -0.777341D+00  0.236089D+01 -0.851359D+00 -0.626447D+00
                71            72            73            74            75 
      1  -0.550530D+00 -0.626447D+00  0.105624D+02 -0.101925D+01 -0.501974D+01
      2   0.180487D+01 -0.996266D+00 -0.101925D+01 -0.112465D+01  0.210458D+00
      3  -0.996266D+00 -0.220204D+00 -0.501974D+01  0.210458D+00  0.212576D+01
                76            77            78            79            80 
      1   0.211485D+01 -0.904796D+00 -0.111737D+01 -0.352035D+01  0.487533D+00
      2  -0.904796D+00  0.140414D+01 -0.124456D+01  0.487533D+00 -0.120898D+01
      3  -0.111737D+01 -0.124456D+01  0.334870D-01  0.214478D+01 -0.446716D+00
                81            82            83            84            85 
      1   0.214478D+01 -0.114777D+01  0.214901D+01 -0.258037D+01  0.393977D+00
      2  -0.446716D+00  0.214901D+01 -0.661927D+01  0.251912D+01 -0.401282D+01
      3   0.147562D+01 -0.258037D+01  0.251912D+01 -0.109704D+01  0.118968D+01
                86            87            88            89            90 
      1  -0.401282D+01  0.118968D+01 -0.136969D+01  0.755418D+00 -0.688077D+00
      2   0.601493D+01 -0.368317D+01  0.755418D+00 -0.337172D+01  0.207326D+01
      3  -0.368317D+01  0.181381D+01 -0.688077D+00  0.207326D+01  0.147888D+01
                91            92            93            94            95 
      1  -0.121808D+01  0.100004D+01  0.229789D+01  0.140779D+00  0.478616D+01
      2   0.100004D+01  0.336315D+01 -0.102720D+00  0.478616D+01 -0.582339D+01
      3   0.229789D+01 -0.102720D+00  0.100316D+01 -0.664401D+00  0.387977D+01
                96            97            98            99           100 
      1  -0.664401D+00  0.156148D+01 -0.129043D+00  0.117642D+01  0.729062D+01
      2   0.387977D+01 -0.129043D+00  0.298493D+01 -0.405416D-01 -0.360330D+01
      3  -0.204015D-01  0.117642D+01 -0.405416D-01 -0.221330D+00 -0.394496D+01
               101           102           103           104           105 
      1  -0.360330D+01 -0.394496D+01 -0.208068D+01 -0.205541D+01 -0.120633D+00
      2  -0.138619D+01  0.446068D+00 -0.205541D+01  0.694366D+00 -0.222278D+01
      3   0.446068D+00  0.148544D+00 -0.120633D+00 -0.222278D+01 -0.987723D+00
               106           107           108           109           110 
      1  -0.298895D+01 -0.615433D-01  0.195909D+00 -0.780780D+01  0.328881D+01
      2  -0.615433D-01 -0.154823D+01 -0.116180D+01  0.328881D+01  0.470082D+00
      3   0.195909D+00 -0.116180D+01  0.223201D+00  0.414178D+01 -0.989066D+00
               111           112           113           114           115 
      1   0.414178D+01  0.611173D+01 -0.951582D+00 -0.231955D+01  0.350644D+01
      2  -0.989066D+00 -0.951582D+00  0.761893D+00  0.211831D+01 -0.463255D+00
      3  -0.194549D+01 -0.231955D+01  0.211831D+01  0.846019D+00 -0.215465D+01
               116           117           118           119           120 
      1  -0.463255D+00 -0.215465D+01  0.114261D+02  0.149917D+00 -0.309188D+01
      2   0.118725D+01  0.406316D+00  0.149917D+00  0.102334D+01 -0.297889D-02
      3   0.406316D+00 -0.147990D+01 -0.309188D+01 -0.297889D-02  0.212084D+01
               121           122           123           124           125 
      1  -0.226077D+01  0.111291D+01  0.824871D+00 -0.309655D+01 -0.141129D-01
      2   0.111291D+01  0.106332D+00 -0.741220D+00 -0.141129D-01 -0.506595D+00
      3   0.824871D+00 -0.741220D+00 -0.258685D+00  0.247405D+01  0.185599D+00
               126           127           128           129           130 
      1   0.247405D+01  0.101415D+00  0.576475D+00 -0.873260D+00  0.127686D+01
      2   0.185599D+00  0.576475D+00 -0.688039D+00  0.239992D+00  0.520285D+00
      3  -0.154122D+01 -0.873260D+00  0.239992D+00 -0.371817D+00 -0.243294D+00
               131           132           133           134           135 
      1   0.520285D+00 -0.243294D+00 -0.141449D+01 -0.386785D+00  0.446802D+00
      2   0.463467D+01 -0.216786D+01 -0.386785D+00 -0.179733D+01  0.165462D+01
      3  -0.216786D+01  0.235627D+01  0.446802D+00  0.165462D+01 -0.221630D+01
               136           137           138           139           140 
      1   0.593305D+01  0.308285D+01  0.182231D+01  0.494254D+01  0.416927D+01
      2   0.308285D+01  0.263096D+01  0.827095D+00  0.416927D+01  0.434438D+01
      3   0.182231D+01  0.827095D+00  0.152409D+01  0.165486D+01  0.200777D+01
               141           142           143           144           145 
      1   0.165486D+01  0.214837D+01  0.124551D+01  0.207455D+01  0.214505D+01
      2   0.200777D+01  0.124551D+01  0.145099D+01  0.135778D+01 -0.881232D+00
      3   0.149550D+01  0.207455D+01  0.135778D+01  0.154005D+01  0.135629D+01
               146           147           148           149           150 
      1  -0.881232D+00  0.135629D+01 -0.217513D+01  0.153672D+01 -0.867763D+00
      2   0.100853D+01 -0.384030D+00  0.153672D+01 -0.287023D+01  0.168584D+01
      3  -0.384030D+00  0.114223D+01 -0.867763D+00  0.168584D+01 -0.209461D+01
               151           152           153           154           155 
      1   0.193465D+01 -0.284290D+00  0.136233D+01 -0.229476D+01  0.188782D+01
      2  -0.284290D+00  0.128377D+01 -0.104030D+01  0.188782D+01 -0.207192D+01
      3   0.136233D+01 -0.104030D+01  0.221543D+01 -0.973446D+00  0.400129D+00
               156           157           158           159           160 
      1  -0.973446D+00  0.301487D+01 -0.420353D+01  0.122742D+01 -0.116719D+01
      2   0.400129D+00 -0.420353D+01  0.884788D+01 -0.286114D+01  0.112947D+01
      3  -0.837838D+00  0.122742D+01 -0.286114D+01  0.196589D+01 -0.139849D+01
               161           162           163           164           165 
      1   0.112947D+01 -0.139849D+01 -0.368345D+01 -0.713849D+00 -0.184669D+01
      2  -0.243708D+01  0.204945D+01 -0.713849D+00 -0.115346D+01 -0.316916D+00
      3   0.204945D+01 -0.154126D+01 -0.184669D+01 -0.316916D+00 -0.185617D+01
               166           167           168           169           170 
      1  -0.210926D+01 -0.115009D+01 -0.800667D+00 -0.204007D+01  0.297766D-01
      2  -0.115009D+01 -0.133812D+01 -0.119824D+01  0.297766D-01 -0.118071D+01
      3  -0.800667D+00 -0.119824D+01 -0.149979D+01 -0.165799D+01 -0.440104D+00
               171           172           173           174           175 
      1  -0.165799D+01 -0.100853D+02  0.351349D+01  0.303517D+01  0.124934D+01
      2  -0.440104D+00  0.351349D+01 -0.224120D+01 -0.953270D+00 -0.140014D+01
      3  -0.222065D+01  0.303517D+01 -0.953270D+00 -0.205640D+01 -0.124479D+00
               176           177           178           179           180 
      1  -0.140014D+01 -0.124479D+00  0.270412D+01 -0.923895D+00 -0.221292D+01
      2   0.151901D+01  0.792814D+00 -0.923895D+00  0.894385D+00  0.111712D+01
      3   0.792814D+00  0.571675D+00 -0.221292D+01  0.111712D+01  0.153803D+01
               181           182           183           184           185 
      1   0.919255D+00  0.950211D+00  0.106245D+01  0.114795D+01  0.485522D+00
      2   0.950211D+00  0.187528D+01  0.697066D+00  0.485522D+00  0.411642D+01
      3   0.106245D+01  0.697066D+00  0.124273D+01  0.212188D+00  0.198193D+01
               186           187           188           189           190 
      1   0.212188D+00  0.120415D+01 -0.141691D+00  0.219078D+00 -0.300324D+01
      2   0.198193D+01 -0.141691D+00  0.202066D+01  0.170052D+01 -0.358464D+01
      3   0.203781D+01  0.219078D+00  0.170052D+01  0.221791D+01 -0.168542D+01
               191           192           193           194           195 
      1  -0.358464D+01 -0.168542D+01 -0.230169D+01 -0.304568D+01 -0.809979D+00
      2  -0.508763D+01 -0.163783D+01 -0.304568D+01 -0.740196D+01 -0.214864D+01
      3  -0.163783D+01 -0.128525D+01 -0.809979D+00 -0.214864D+01 -0.170767D+01
               196           197           198           199           200 
      1  -0.114221D+01 -0.111494D+01 -0.107659D+01  0.339176D+01 -0.151314D+01
      2  -0.111494D+01 -0.246126D+01 -0.223531D+01 -0.151314D+01  0.202094D+01
      3  -0.107659D+01 -0.223531D+01 -0.154130D+01 -0.184382D+01  0.803214D+00
               201           202           203           204           205 
      1  -0.184382D+01 -0.818574D+00  0.805811D+00  0.319042D+00 -0.136901D+01
      2   0.803214D+00  0.805811D+00 -0.164129D+01 -0.120001D+01  0.358575D+00
      3   0.222685D+01  0.319042D+00 -0.120001D+01 -0.857354D+00  0.120982D+01
               206           207           208           209           210 
      1   0.358575D+00  0.120982D+01  0.371087D+00 -0.152550D+01  0.886233D+00
      2  -0.184917D+01 -0.121547D+01 -0.152550D+01  0.338908D+01 -0.111415D+01
      3  -0.121547D+01 -0.221899D+01  0.886233D+00 -0.111415D+01  0.532333D+00
               211           212           213           214           215 
      1  -0.112261D+01  0.100877D+01 -0.286512D+00  0.546234D+00 -0.320550D+00
      2   0.100877D+01 -0.109438D+02  0.294328D+01 -0.320550D+00  0.305382D+01
      3  -0.286512D+00  0.294328D+01 -0.206714D+01  0.138229D+00 -0.247489D+01
               216           217           218           219           220 
      1   0.138229D+00 -0.451735D+01 -0.871978D+00  0.214594D+01  0.232264D+00
      2  -0.247489D+01 -0.871978D+00 -0.143631D+01  0.413529D+00 -0.573985D+00
      3   0.153864D+01  0.214594D+01  0.413529D+00 -0.238631D+01 -0.717150D-01
               221           222           223           224           225 
      1  -0.573985D+00 -0.717150D-01  0.169433D+01  0.424304D+00 -0.158282D+01
      2  -0.449145D+00  0.898020D+00  0.424304D+00  0.153094D+01 -0.660524D+00
      3   0.898020D+00  0.589556D-01 -0.158282D+01 -0.660524D+00  0.221833D+01
               226           227           228           229           230 
      1   0.511742D+01 -0.170736D+01  0.820540D+00 -0.186715D+01  0.999957D+00
      2  -0.170736D+01  0.346960D+01 -0.125917D+01  0.999957D+00 -0.571771D+00
      3   0.820540D+00 -0.125917D+01  0.140711D+01 -0.187063D+00 -0.469426D+00
               231           232           233           234           235 
      1  -0.187063D+00 -0.736969D-02  0.884391D-01  0.557977D+00  0.646454D+00
      2  -0.469426D+00  0.884391D-01 -0.189084D+01  0.443917D+00 -0.368954D+00
      3  -0.143924D+00  0.557977D+00  0.443917D+00  0.237096D+00  0.665361D+00
               236           237           238           239           240 
      1  -0.368954D+00  0.665361D+00 -0.412096D+00 -0.418734D+00  0.217594D+00
      2  -0.954570D+00  0.304137D+00 -0.418734D+00  0.124069D+01 -0.127095D+00
      3   0.304137D+00 -0.202922D+00  0.217594D+00 -0.127095D+00  0.652257D+00
               241           242           243           244           245 
      1   0.102988D+01 -0.866279D-01  0.975394D+00 -0.653239D+01 -0.666036D+00
      2  -0.866279D-01  0.216748D+01 -0.124707D+01 -0.666036D+00 -0.233212D+01
      3   0.975394D+00 -0.124707D+01  0.708816D+01 -0.113776D+01 -0.589513D+00
               246           247           248           249           250 
      1  -0.113776D+01  0.126099D+00  0.140642D-01  0.482206D+00  0.351566D+00
      2  -0.589513D+00  0.140642D-01  0.908363D+00  0.793121D+00  0.730622D+00
      3  -0.135428D+01  0.482206D+00  0.793121D+00  0.408218D+00 -0.343811D+00
               251           252           253           254           255 
      1   0.730622D+00 -0.343811D+00 -0.574486D+00  0.620166D+00 -0.364119D+00
      2   0.155808D+01  0.625887D+00  0.620166D+00  0.117305D+01  0.507737D+00
      3   0.625887D+00 -0.232323D+00 -0.364119D+00  0.507737D+00  0.434627D+00
               256           257           258           259           260 
      1   0.374967D+00  0.696878D+00  0.422540D+00 -0.125897D+01 -0.463175D+00
      2   0.696878D+00  0.269805D+00 -0.173125D+00 -0.463175D+00 -0.193805D+01
      3   0.422540D+00 -0.173125D+00  0.524278D+00 -0.138067D+01 -0.776628D+00
               261           262           263           264           265 
      1  -0.138067D+01 -0.419587D+01 -0.170060D+01  0.479719D+00 -0.376368D+01
      2  -0.776628D+00 -0.170060D+01 -0.219591D+01  0.383182D+00 -0.826958D+00
      3  -0.708720D+01  0.479719D+00  0.383182D+00 -0.827214D+00  0.145615D+01
               266           267           268           269           270 
      1  -0.826958D+00  0.145615D+01 -0.150030D+01  0.772490D+00  0.106297D+00
      2  -0.245911D+01 -0.127301D+00  0.772490D+00 -0.405406D+00 -0.704974D+00
      3  -0.127301D+00 -0.114899D+01  0.106297D+00 -0.704974D+00  0.236662D+00
               271           272           273           274           275 
      1   0.114926D+01 -0.876900D+00 -0.155196D+00 -0.389912D+00 -0.507785D+00
      2  -0.876900D+00 -0.276743D+00  0.255873D+00 -0.507785D+00  0.245450D+00
      3  -0.155196D+00  0.255873D+00  0.668131D+00  0.168373D+00  0.693317D+00
               276           277           278           279           280 
      1   0.168373D+00  0.195714D+01 -0.448067D+00 -0.156534D+01  0.201519D+01
      2   0.693317D+00 -0.448067D+00  0.123820D+01 -0.218521D+00  0.444202D+00
      3  -0.147980D+00 -0.156534D+01 -0.218521D+00  0.708763D+01  0.355572D+00
               281           282           283           284           285 
      1   0.444202D+00  0.355572D+00  0.207371D+01  0.145815D+01 -0.271262D+00
      2   0.331996D+01 -0.134312D+01  0.145815D+01  0.508383D+01 -0.698500D+00
      3  -0.134312D+01  0.103071D+01 -0.271262D+00 -0.698500D+00  0.967608D+00
               286           287           288           289           290 
      1   0.620642D+00 -0.887690D+00  0.714529D+00 -0.362970D+00  0.270128D+00
      2  -0.887690D+00  0.129138D+01 -0.154127D-01  0.270128D+00  0.627087D+00
      3   0.714529D+00 -0.154127D-01 -0.232943D+00 -0.624116D+00 -0.274085D+00
               291           292           293           294           295 
      1  -0.624116D+00 -0.195799D-01  0.107529D+01 -0.358287D+00 -0.136813D+01
      2  -0.274085D+00  0.107529D+01 -0.819112D+00  0.841394D-01  0.525820D+00
      3   0.241472D+00 -0.358287D+00  0.841394D-01 -0.634476D+00  0.200339D-01
               296           297           298           299           300 
      1   0.525820D+00  0.200339D-01 -0.118233D+01 -0.121447D+00 -0.774163D+00
      2  -0.183228D+01  0.158727D+01 -0.121447D+00 -0.101061D+01 -0.734751D+00
      3   0.158727D+01 -0.708686D+01 -0.774163D+00 -0.734751D+00 -0.581019D+00
               301           302           303           304           305 
      1   0.209668D+01  0.889704D-01  0.340026D+00 -0.134809D+01 -0.860763D+00
      2   0.889704D-01  0.655581D+01  0.112588D+01 -0.860763D+00 -0.551507D+00
      3   0.340026D+00  0.112588D+01  0.129150D+01 -0.662758D+00  0.259829D+00
               306           307           308           309           310 
      1  -0.662758D+00  0.342895D-01 -0.546774D+00  0.296520D+00 -0.992087D+00
      2   0.259829D+00 -0.546774D+00 -0.599359D+00 -0.430035D+00 -0.903903D+00
      3   0.237229D+00  0.296520D+00 -0.430035D+00 -0.464836D+00 -0.517444D+00
               311           312           313           314           315 
      1  -0.903903D+00 -0.517444D+00  0.180712D+01  0.534446D+00  0.591535D+00
      2   0.305566D+00  0.240421D+00  0.534446D+00  0.138856D+01  0.146287D+01
      3   0.240421D+00 -0.507812D+00  0.591535D+00  0.146287D+01  0.708827D+01
               316           317           318           319           320 
      1   0.135561D+01 -0.136275D+01  0.263581D+00 -0.378847D+01  0.170128D+01
      2  -0.136275D+01  0.218810D+01  0.329125D+00  0.170128D+01 -0.439932D+01
      3   0.263581D+00  0.329125D+00  0.324235D+00  0.140188D+01 -0.609900D+00
               321           322           323           324           325 
      1   0.140188D+01  0.188259D+01  0.156693D+00 -0.368146D+00 -0.141556D+01
      2  -0.609900D+00  0.156693D+00  0.158678D-01 -0.611900D+00  0.117692D+00
      3  -0.137704D+01 -0.368146D+00 -0.611900D+00 -0.235456D+00  0.180921D+00
               326           327           328           329           330 
      1   0.117692D+00  0.180921D+00  0.652781D+00  0.584335D+00 -0.192119D+00
      2   0.558880D+00 -0.105617D+00  0.584335D+00 -0.454783D+00 -0.718797D+00
      3  -0.105617D+00 -0.671820D+00 -0.192119D+00 -0.718797D+00  0.116250D+00
               331           332           333 
      1  -0.217042D+01 -0.628824D-01  0.136232D+01
      2  -0.628824D-01 -0.102791D+01 -0.804567D+00
      3   0.136232D+01 -0.804567D+00 -0.708767D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.108240D+02 -0.505028D+01  0.490132D+01 -0.496424D+01  0.973622D-01
      2   0.305350D+00  0.232806D+01  0.339459D+01  0.152921D+01  0.204057D+01
      3  -0.905819D+01  0.121084D+01  0.931936D+01  0.566738D+01  0.748109D+01
                 6             7             8             9            10 
      1  -0.891027D+01 -0.499014D+00 -0.206302D+01 -0.120176D+01  0.494017D+01
      2   0.931962D+00  0.639650D+00 -0.600578D+00 -0.123608D+00 -0.292763D+01
      3   0.123606D+01  0.100646D+02  0.992183D+00 -0.282831D+01  0.907284D+01
                11            12            13            14            15 
      1  -0.730512D+01 -0.627076D+01 -0.692916D+01  0.589634D+01 -0.670429D+01
      2   0.178725D+01  0.561113D+01  0.249167D+01  0.975616D+00  0.430246D+00
      3  -0.564727D+01 -0.814053D+01 -0.116193D+01 -0.747950D+01  0.471348D+01
                16            17            18            19            20 
      1   0.885502D-02 -0.182059D+01  0.104575D+01  0.525655D+00 -0.154868D+01
      2   0.880672D+00  0.108061D+01 -0.581093D+00  0.173879D+02  0.117137D+02
      3  -0.890930D+01  0.477731D+01  0.283386D+01 -0.194684D+02 -0.150212D+02
                21            22            23            24            25 
      1   0.306016D+01 -0.272435D-01 -0.134850D+02  0.323736D+01  0.978100D+01
      2   0.762591D+01  0.411931D+01 -0.278965D+00 -0.299057D+01 -0.885761D+01
      3  -0.749444D+01 -0.173543D+00  0.118020D+02  0.111175D+01 -0.293543D+01
                26            27            28            29            30 
      1   0.162421D+02  0.163362D+02  0.209142D+01  0.325435D+01  0.317594D-01
      2  -0.990971D+01 -0.148439D+02  0.300459D+01 -0.207979D+01  0.252630D+01
      3   0.260037D+01 -0.677091D+00 -0.909222D-01 -0.533682D+01 -0.240216D-01
                31            32            33            34            35 
      1   0.310872D+01 -0.216183D+01 -0.249959D+01  0.135529D+00  0.622761D+01
      2  -0.209092D+01 -0.317158D+01  0.494765D-01 -0.606397D+01 -0.126491D-02
      3   0.531187D+01 -0.202938D-01  0.902487D-01  0.807925D-01  0.107221D+00
                36            37            38            39            40 
      1  -0.603751D-01  0.442890D+01 -0.261806D+01  0.166053D+01  0.166546D+01
      2  -0.169944D+00  0.813178D+01 -0.158166D+02  0.817078D+01 -0.940282D+01
      3  -0.971965D-01  0.951069D+01 -0.238706D+02  0.734218D+01 -0.904768D+01
                41            42            43            44            45 
      1   0.140341D+02  0.382858D+01 -0.430025D+01  0.221814D+02 -0.207822D+02
      2   0.274259D+01 -0.174574D+01 -0.298305D+01  0.439430D+01 -0.742195D+01
      3  -0.175179D+01 -0.185778D+01  0.370203D+01  0.124741D+01  0.702444D+00
                46            47            48            49            50 
      1   0.287769D+00 -0.177882D+01  0.427595D+01 -0.951450D+01 -0.189470D+02
      2   0.131923D+02  0.158901D+01 -0.226181D+01  0.209137D+01 -0.258953D+01
      3  -0.131852D+02 -0.411550D+01 -0.206156D+01  0.107628D+02  0.208608D+02
                51            52            53            54            55 
      1  -0.670075D+01  0.105314D+02  0.115381D+02  0.168259D+02  0.642945D+00
      2  -0.432445D+01 -0.136549D+02 -0.104169D+02 -0.142548D+02 -0.767539D+01
      3   0.729708D+01 -0.293271D+01  0.255968D+01  0.676538D+00  0.632355D+01
                56            57            58            59            60 
      1  -0.376099D+01 -0.472626D+00 -0.310708D+01  0.267941D+01 -0.649286D+01
      2   0.612677D+01  0.581427D+01  0.658925D+01 -0.277796D+01  0.630243D+01
      3   0.321432D+01 -0.572566D+01  0.769357D+01 -0.789128D+01  0.744333D+01
                61            62            63            64            65 
      1  -0.118973D+01 -0.103240D+01  0.705017D+00 -0.133922D+01 -0.211282D+01
      2   0.164992D+01  0.935317D-01 -0.952901D+00 -0.137311D+01  0.313281D+01
      3  -0.588528D+01  0.820882D+01 -0.283207D+01 -0.630518D+01 -0.770023D+01
                66            67            68            69            70 
      1  -0.170084D+01 -0.292075D+01 -0.237035D+01 -0.298260D+01  0.403307D+00
      2   0.931952D+01  0.312498D+01  0.117030D+02 -0.411776D+01  0.204884D+01
      3  -0.819458D-02 -0.321431D+01  0.788221D+01 -0.938974D+01  0.312292D+00
                71            72            73            74            75 
      1  -0.648094D+00 -0.227239D-01 -0.416636D+01  0.997734D+01  0.317355D+01
      2   0.681838D+00  0.119292D+01 -0.146462D+02 -0.162092D+01 -0.317275D+01
      3  -0.100943D+02  0.283953D+01 -0.253714D+01  0.994864D+01  0.273707D+01
                76            77            78            79            80 
      1   0.157838D+02 -0.411566D+01 -0.752926D+01 -0.177198D+01  0.216288D+01
      2   0.338104D+01 -0.503478D+01 -0.319150D+01 -0.230179D+02  0.157714D+01
      3   0.247438D+02 -0.501773D+01 -0.705324D+01 -0.773825D+00 -0.388184D+01
                81            82            83            84            85 
      1   0.473147D+01  0.232626D+01  0.356160D+01 -0.615747D+01 -0.369757D+01
      2   0.216089D+02  0.944656D+01 -0.869931D+01  0.210744D+01 -0.617963D+01
      3  -0.636863D+00  0.106121D+02 -0.171322D+02  0.471541D+01 -0.230210D+01
                86            87            88            89            90 
      1   0.190382D+02 -0.229314D+01 -0.820562D+01  0.192724D+02 -0.210157D+02
      2  -0.675985D+01  0.622137D+01 -0.591061D+01  0.809653D+01 -0.671027D+01
      3  -0.182311D+02  0.592571D+01  0.368688D+01  0.124143D+01 -0.695165D+00
                91            92            93            94            95 
      1  -0.749299D+01 -0.418364D+01 -0.772252D+00 -0.375038D+01  0.403285D+00
      2  -0.928421D+01 -0.102754D+01  0.352252D+01 -0.169570D+01  0.917508D+00
      3  -0.405409D+00  0.660726D+01  0.814879D+01  0.110943D+02  0.201012D+01
                96            97            98            99           100 
      1  -0.878749D+01  0.120880D+01 -0.158499D+01 -0.102440D+01 -0.913082D+00
      2  -0.507555D+01  0.110004D+01 -0.131852D+00 -0.609030D+00 -0.144637D+01
      3   0.468088D+01  0.858285D+01  0.533608D+01  0.284598D+01  0.378266D+00
               101           102           103           104           105 
      1  -0.149372D-01  0.431382D+01 -0.753325D+00  0.829074D+01 -0.303352D+01
      2   0.260965D+01  0.925735D+01  0.293599D+01  0.955899D+01  0.153697D+01
      3  -0.111158D+02 -0.357705D+01 -0.666830D+01 -0.195576D+01 -0.867910D+01
               106           107           108           109           110 
      1   0.524251D-01 -0.941699D+00  0.466673D+00  0.694981D+01  0.777150D+01
      2   0.175970D+01 -0.113483D+01  0.107863D+01 -0.179308D+02  0.254832D+01
      3  -0.414444D+01 -0.921937D+01 -0.284323D+01  0.152607D+02  0.569498D+01
               111           112           113           114           115 
      1  -0.607314D+01  0.112198D+02 -0.680499D+01 -0.375414D+01 -0.611979D+01
      2   0.678410D+00 -0.432916D+01 -0.347713D+01  0.598893D+01 -0.211765D+02
      3  -0.526609D+01  0.205813D+02 -0.757624D+01 -0.549449D+01 -0.822494D+00
               116           117           118           119           120 
      1   0.403102D+01  0.398065D+01  0.136978D+01 -0.168889D+01 -0.193949D+01
      2   0.623599D+01  0.217839D+02  0.251106D+01  0.895135D+00  0.592747D+01
      3  -0.389514D+01  0.696845D+00  0.733862D+01 -0.566854D+01 -0.299812D+01
               121           122           123           124           125 
      1  -0.289099D+00  0.107886D+01 -0.287099D+00 -0.139717D+01  0.140953D+01
      2  -0.313319D+01 -0.185851D+01  0.418996D+00  0.260807D+01 -0.281195D+00
      3  -0.215146D+01  0.179281D+01  0.250953D+01 -0.103388D+01  0.302385D+01
               126           127           128           129           130 
      1   0.851176D+00  0.759857D+00  0.105508D+01  0.801881D+00 -0.121466D+00
      2  -0.270291D+01 -0.453690D+01  0.139347D+01 -0.229560D+01  0.104137D+01
      3   0.106947D+01 -0.336310D+01  0.327163D+01 -0.195090D+01  0.285493D+01
               131           132           133           134           135 
      1  -0.310400D+01 -0.205842D+01 -0.891474D-01  0.128533D+01  0.877386D+00
      2  -0.664406D+01  0.772086D+01 -0.215997D+01  0.526618D+01 -0.632792D+01
      3  -0.148127D+02  0.695349D+01 -0.625898D+00  0.566731D+01 -0.562168D+01
               136           137           138           139           140 
      1   0.132440D+00  0.110662D+01 -0.165595D+01  0.244971D+01  0.221290D+01
      2   0.331310D+00  0.360763D+00  0.497600D+01 -0.368938D+01  0.636095D+00
      3  -0.151361D+01 -0.545213D+01 -0.853067D+00 -0.194033D+01 -0.763141D+01
               141           142           143           144           145 
      1  -0.123681D+01 -0.951523D+00  0.463369D+00 -0.966606D+00 -0.268836D+01
      2   0.317716D+01  0.166042D+01  0.263436D+01  0.266140D+01  0.314114D+01
      3  -0.381682D+01  0.101421D+01 -0.303318D+01 -0.107309D+01  0.462015D+01
               146           147           148           149           150 
      1   0.125768D+01 -0.126035D+01  0.238581D+01 -0.596625D+01  0.289211D+01
      2   0.271316D+00  0.267238D+01  0.721293D+00  0.429125D+01 -0.725390D+01
      3  -0.457280D+01  0.269231D+01 -0.496001D+01  0.135243D+02 -0.670196D+01
               151           152           153           154           155 
      1  -0.146695D+01  0.420176D+01 -0.315006D+01  0.134871D+01 -0.418199D+00
      2   0.754712D+00 -0.370556D+01  0.555374D+01  0.111475D+01 -0.622635D+00
      3   0.294227D+01 -0.489509D+01  0.561804D+01 -0.212087D+00 -0.220262D+01
               156           157           158           159           160 
      1   0.227132D+01  0.236634D+01 -0.314375D+01 -0.349380D+01  0.118268D+01
      2   0.271938D+01  0.260623D+01  0.665628D+00 -0.379109D+01  0.792043D-01
      3  -0.673320D+00  0.132030D+01  0.932479D+01 -0.385011D+01 -0.210479D+01
               161           162           163           164           165 
      1  -0.112293D+01  0.191778D+01  0.524945D+01  0.185294D+01  0.410570D+01
      2  -0.285937D+01  0.209074D+01  0.102872D+01 -0.462945D+00  0.397156D+01
      3  -0.240780D+01  0.106748D+01 -0.928253D+01 -0.632179D+01 -0.505028D+01
               166           167           168           169           170 
      1   0.272883D+01  0.558379D+01  0.420885D+01  0.354794D+01  0.427656D+01
      2  -0.130679D+01  0.251780D+01  0.441283D+01  0.814258D+00  0.163237D+01
      3  -0.671154D+01 -0.883763D+01 -0.516500D+01 -0.459241D+01 -0.339246D+01
               171           172           173           174           175 
      1   0.504923D+01 -0.850611D+00 -0.225873D+01  0.358370D+01  0.580308D+00
      2   0.393473D+01  0.324183D+01 -0.206407D+01  0.426504D+01  0.112859D+01
      3  -0.562658D+01 -0.930480D+01 -0.256132D+01  0.372944D+01  0.957823D+00
               176           177           178           179           180 
      1  -0.116118D+01 -0.194862D+01  0.265473D+01  0.423776D+00 -0.181675D+01
      2  -0.169674D+01 -0.207011D+01  0.162115D+01 -0.974222D+00 -0.216250D+01
      3   0.154663D+00  0.116897D+01  0.211553D+01  0.239684D+01 -0.107096D+01
               181           182           183           184           185 
      1  -0.205515D+01  0.142190D+01 -0.334122D+01  0.461631D+00 -0.474734D-01
      2  -0.532891D+01 -0.252464D+01 -0.410342D+01 -0.178120D+01 -0.590436D+01
      3   0.719773D+01  0.643221D+01  0.446887D+01  0.606477D+01  0.109747D+02
               186           187           188           189           190 
      1  -0.388828D+01 -0.100586D+01 -0.475227D+00 -0.324625D+01 -0.828656D+00
      2  -0.517450D+01 -0.393975D+01 -0.417214D+01 -0.551249D+01 -0.183996D+01
      3   0.568708D+01  0.277837D+01  0.499576D+01  0.562052D+01  0.656467D+01
               191           192           193           194           195 
      1   0.390973D+01 -0.261444D+01 -0.280608D+00  0.175556D+00 -0.553883D+01
      2  -0.216499D+01  0.676100D+00 -0.136374D+01 -0.608267D+00  0.109203D+01
      3   0.259763D+01  0.367357D+01  0.611561D+01  0.256512D+01  0.134270D+01
               196           197           198           199           200 
      1  -0.230014D+01 -0.208413D+01 -0.276498D+01 -0.494408D+01 -0.594784D+00
      2  -0.889405D+00  0.621314D+00  0.613241D+00  0.580201D+01 -0.199826D+01
      3   0.313824D+01 -0.615512D+00  0.106975D+01 -0.146124D+02  0.364170D+01
               201           202           203           204           205 
      1   0.787881D+01 -0.302651D+00 -0.355800D+01 -0.179057D+01  0.430858D+01
      2  -0.203170D+01 -0.807946D+00  0.182295D+01  0.644498D+00 -0.382620D+01
      3   0.700379D+01  0.324179D+01 -0.354981D+01 -0.179015D+01  0.523028D+01
               206           207           208           209           210 
      1  -0.371587D+00 -0.592935D+01  0.165714D+01  0.359291D+01  0.348427D+00
      2   0.872525D+00  0.240329D+01 -0.113273D+01  0.767540D+00  0.803332D-01
      3  -0.228738D+01 -0.562565D+01 -0.289900D+01  0.273473D+01 -0.287604D+01
               211           212           213           214           215 
      1  -0.587139D+00 -0.199207D+01 -0.613448D+01  0.816015D+00 -0.268304D+01
      2   0.162927D+01 -0.137933D+01  0.116959D+01 -0.148409D+01  0.862633D+00
      3   0.625407D+01 -0.624303D+01  0.264538D+01 -0.313244D+01  0.636126D+00
               216           217           218           219           220 
      1   0.278694D+01  0.646614D+01 -0.814637D+00 -0.817441D+01 -0.984421D+00
      2  -0.493348D+00  0.404178D+01  0.532190D+00  0.109886D+01 -0.666059D+00
      3  -0.106951D+01  0.154398D+02 -0.129492D+01 -0.715635D+01 -0.165380D+01
               221           222           223           224           225 
      1   0.428470D+01  0.131231D+01 -0.529744D+01  0.146795D+01  0.640122D+01
      2  -0.256293D+00 -0.344426D+00 -0.199728D+01  0.114193D+00 -0.586467D-01
      3   0.270107D+01  0.101977D+01 -0.572254D+01 -0.887003D-01  0.562673D+01
               226           227           228           229           230 
      1  -0.283363D+00  0.381756D+01  0.112167D+01  0.102997D+01  0.428082D+00
      2  -0.876482D+01  0.311057D+01 -0.457246D-01  0.120878D+01 -0.561545D+00
      3  -0.116104D+02  0.713547D+00 -0.181547D+01  0.207856D+01 -0.102375D+01
               231           232           233           234           235 
      1  -0.167669D+01  0.177997D+01 -0.217187D+01  0.617342D+00  0.177709D+01
      2  -0.467485D+00  0.129673D+01 -0.158575D+01 -0.407200D+00  0.199942D-01
      3  -0.212287D+00  0.195588D+01  0.366227D+00 -0.725667D+00 -0.520367D+00
               236           237           238           239           240 
      1  -0.467052D+00 -0.362253D+00  0.110148D+01  0.141088D+01  0.246105D+01
      2   0.448206D+00 -0.108500D+01  0.445582D-01 -0.168983D+01  0.143783D+01
      3  -0.321786D+00 -0.169690D+01  0.303496D+00 -0.166244D+01 -0.132283D+00
               241           242           243           244           245 
      1   0.275499D+01  0.116699D+01  0.148602D+02 -0.173411D+01  0.281996D+01
      2  -0.168313D+01 -0.147520D+01  0.425315D+01 -0.910357D+01 -0.743508D+00
      3  -0.210152D+01 -0.201777D+01 -0.161960D+01  0.110156D+02 -0.343377D+01
               246           247           248           249           250 
      1  -0.147380D+01  0.954885D+00 -0.194354D+01 -0.850729D+00 -0.159231D+01
      2   0.734889D+00  0.212539D+01  0.556800D+00  0.824277D+00  0.262062D+01
      3   0.162091D+01 -0.208204D+01  0.157633D+01 -0.885947D+00 -0.168056D+01
               251           252           253           254           255 
      1  -0.835978D+00 -0.716274D+00 -0.153535D+01 -0.770232D+00  0.576627D+00
      2   0.139529D+01 -0.149199D+00  0.187498D+00 -0.750507D+00 -0.191806D+01
      3   0.110633D+01  0.730286D+00  0.694087D+00  0.829737D-01  0.151376D+01
               256           257           258           259           260 
      1   0.824007D+00 -0.201108D+01  0.161809D+01 -0.232477D+01  0.275441D+01
      2  -0.952415D+00 -0.523292D+00 -0.166565D+01 -0.853579D-01  0.103350D+01
      3   0.703828D+00  0.148082D+01 -0.772526D+00  0.116020D+01 -0.267366D+01
               261           262           263           264           265 
      1  -0.120966D+02 -0.296951D+01 -0.309658D+01  0.699682D+00 -0.338050D+01
      2   0.960764D+01  0.384662D+01  0.190375D+01  0.188151D+01  0.530554D+01
      3   0.163149D+01 -0.490066D+01 -0.592457D+01  0.763812D+00 -0.460026D+01
               266           267           268           269           270 
      1  -0.517057D+01  0.314602D+00 -0.359556D+00 -0.417120D-01 -0.655541D+00
      2   0.680309D+00 -0.236576D-01  0.338212D+01  0.578353D+00 -0.309422D+00
      3  -0.775907D+01  0.168756D+01 -0.654861D+00 -0.190800D+01 -0.743122D+00
               271           272           273           274           275 
      1  -0.187223D+01  0.109891D+01  0.396639D+00 -0.351033D-01 -0.114264D+01
      2  -0.343136D+00  0.253997D+00 -0.290173D+01 -0.876050D+00 -0.159561D+01
      3  -0.135170D+01  0.178244D+00  0.731056D+00  0.804037D+00 -0.812975D+00
               276           277           278           279           280 
      1   0.646291D+00 -0.211490D+00  0.339306D+01 -0.374628D+01 -0.364072D+00
      2   0.680478D+00  0.535055D+00  0.149134D+01 -0.149860D+02  0.428374D+01
      3   0.153275D+01 -0.706859D+00  0.282373D+01 -0.161372D+01  0.633791D+01
               281           282           283           284           285 
      1  -0.520378D+01  0.286162D+00 -0.176036D+01 -0.519704D+01 -0.174096D+01
      2   0.290858D+01 -0.170378D+00  0.307403D+01  0.316249D+01 -0.953874D+00
      3   0.479324D+01 -0.157482D+01  0.612933D+01  0.626880D+01 -0.964390D+00
               286           287           288           289           290 
      1  -0.140336D+00 -0.346772D+01  0.222243D+00  0.129836D+01  0.103110D+01
      2  -0.792962D-02 -0.691599D-01  0.690395D+00  0.147375D+01  0.102777D+00
      3   0.179242D+01  0.912313D+00  0.737669D+00  0.950134D+00 -0.853139D+00
               291           292           293           294           295 
      1  -0.982986D+00  0.507016D-01  0.188769D+00  0.280631D+01 -0.959263D+00
      2  -0.728594D+00 -0.116826D+01  0.178105D+01 -0.117613D+00 -0.354508D+01
      3  -0.142738D+01 -0.227951D+00  0.122836D+01 -0.927962D+00 -0.289502D+01
               296           297           298           299           300 
      1  -0.708529D+00  0.143756D+02 -0.518768D+00 -0.321810D+01 -0.799238D+00
      2  -0.337783D+00  0.567463D+01  0.240798D+01 -0.129723D+01  0.556079D+00
      3   0.324726D+00  0.163556D+01 -0.247368D+01  0.322379D+01  0.108468D+01
               301           302           303           304           305 
      1  -0.109802D+00  0.851210D+01 -0.101589D+01 -0.111636D+01 -0.296749D+01
      2  -0.277654D+01  0.238935D+01  0.145950D+01  0.487001D+00  0.131707D+01
      3   0.455539D+01 -0.101549D+02 -0.150738D+01 -0.131282D+01  0.152033D+01
               306           307           308           309           310 
      1   0.494817D-01  0.278219D-01  0.110774D+01  0.158843D+01  0.698861D+00
      2   0.729640D+00  0.206575D+01 -0.625701D+00 -0.133895D+01  0.937782D+00
      3  -0.731263D+00 -0.137552D+01 -0.799071D+00  0.957812D+00 -0.170596D+00
               311           312           313           314           315 
      1  -0.190814D+00  0.222210D+01 -0.629406D+00 -0.262510D+00 -0.111060D+02
      2   0.152650D+01 -0.514971D+00 -0.315887D+01  0.190988D+01  0.107413D+02
      3  -0.791459D+00 -0.140491D+01  0.279702D+01 -0.802150D+00 -0.161172D+01
               316           317           318           319           320 
      1   0.120272D+01 -0.203461D+01  0.209122D+00 -0.358437D+01  0.800214D+01
      2   0.427434D+00 -0.128027D+01  0.181053D+01 -0.434492D+01  0.659962D+00
      3   0.151323D+01 -0.339428D+01 -0.397305D-01 -0.205106D+01  0.110218D+02
               321           322           323           324           325 
      1   0.257107D+00  0.141949D+01 -0.865385D+00  0.478424D+00  0.189744D+01
      2  -0.831342D+00  0.257443D+01 -0.160034D+01 -0.557681D+00 -0.106191D+01
      3   0.186649D+01 -0.112835D+00 -0.197575D+01  0.719123D+00  0.163822D+01
               326           327           328           329           330 
      1   0.302036D+00 -0.123402D+01 -0.308607D+00  0.197493D+00  0.871912D+00
      2  -0.100635D+01 -0.267223D+01  0.479042D+00 -0.182085D+01  0.154742D+00
      3  -0.173594D+00 -0.910586D-01  0.450749D+00  0.547949D+00  0.169481D+01
               331           332           333 
      1   0.134438D+01  0.221890D+01 -0.227869D+01
      2  -0.643860D+00 -0.262808D+01 -0.152844D+02
      3   0.172604D+01  0.234404D+01  0.162116D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.656199D+01 -0.126504D+02  0.726121D+01 -0.959634D+01  0.277930D+02
      2   0.107805D+02  0.230910D+02 -0.795405D+01  0.177679D+02 -0.407891D+02
      3  -0.421855D+01 -0.104406D+02  0.692836D+00 -0.817153D+01  0.129961D+02
      4  -0.985068D+01  0.609405D+01  0.123568D+02  0.607629D+01  0.117479D+02
      5   0.803462D+01  0.316923D+00 -0.718833D+01 -0.275688D+01 -0.290607D+01
      6   0.137728D+02 -0.808387D+01 -0.544410D+01 -0.387404D+01  0.245499D+02
                 6             7             8             9            10 
      1  -0.127040D+02  0.627738D+01 -0.853732D+01 -0.145004D+01  0.115478D+02
      2   0.237489D+02 -0.653653D+01  0.170998D+02 -0.239046D+01 -0.164214D+02
      3  -0.110449D+02  0.259147D+00 -0.856252D+01  0.384050D+01  0.487362D+01
      4   0.708024D-01  0.104077D+02 -0.195110D+01 -0.363169D+01  0.154507D+01
      5  -0.749712D+00 -0.598615D+01 -0.165741D+00  0.124046D+01 -0.759876D+00
      6  -0.577096D+01 -0.336374D+01 -0.607241D+01 -0.204514D+01 -0.209000D+02
                11            12            13            14            15 
      1   0.108418D+02 -0.587108D+00  0.900623D+01  0.816501D+00  0.827164D+01
      2  -0.246345D+02 -0.429584D+01 -0.205311D+02 -0.467795D+01 -0.181943D+02
      3   0.137928D+02  0.488295D+01  0.115249D+02  0.386145D+01  0.992263D+01
      4  -0.224768D+02 -0.179734D+02 -0.195085D+02 -0.209917D+02 -0.647007D+01
      5  -0.808940D+01 -0.480458D+01 -0.362831D+01 -0.918086D+01  0.330953D+00
      6  -0.765451D+01  0.501429D+01 -0.493642D+01 -0.164828D+02 -0.819806D+01
                16            17            18            19            20 
      1  -0.144036D+01  0.427571D+01  0.988951D+00 -0.175398D+02 -0.419792D+01
      2  -0.209006D+01 -0.120824D+02 -0.484958D+01  0.118829D+02  0.617839D+01
      3   0.353042D+01  0.780667D+01  0.386063D+01  0.565694D+01 -0.198047D+01
      4  -0.149881D+02 -0.510567D+01  0.222404D+01 -0.753718D+01  0.482248D+01
      5  -0.475383D+01 -0.388211D+00  0.193922D+01 -0.392196D+01  0.245355D+01
      6   0.280938D+01 -0.733168D+01  0.141641D+01  0.450144D+01  0.238316D+01
                21            22            23            24            25 
      1  -0.195818D+01 -0.945165D+01 -0.121359D+02 -0.103858D+02 -0.890860D+00
      2  -0.171748D-01  0.140431D+02  0.117769D+02  0.124974D+02  0.155847D+01
      3   0.197535D+01 -0.459145D+01  0.359058D+00 -0.211158D+01 -0.667611D+00
      4   0.192874D+01  0.732268D+01  0.990303D+01  0.514808D+01  0.280829D+00
      5   0.377104D+01  0.159360D+01  0.826069D+01  0.178977D+01  0.319015D+01
      6   0.209836D+01  0.423645D+01  0.877702D+01  0.614134D+01  0.881067D-01
                26            27            28            29            30 
      1  -0.515106D+01  0.363800D+01 -0.693504D+01 -0.500456D-01 -0.504397D+01
      2   0.463801D+01  0.111475D+02  0.216999D+01  0.465824D-01  0.506897D+01
      3   0.513050D+00 -0.147855D+02  0.476505D+01  0.346318D-02 -0.250009D-01
      4   0.348649D+01 -0.143855D+00 -0.288260D-01 -0.447369D+01  0.337264D+01
      5   0.483418D+00 -0.405096D+01 -0.302992D+01  0.204576D+01 -0.234451D+01
      6   0.526435D+01 -0.646870D+01  0.204662D+01  0.310749D+01 -0.800650D-02
                31            32            33            34            35 
      1  -0.123857D-01  0.219237D+01  0.336716D+01 -0.718329D+01  0.481028D+01
      2  -0.108014D-01 -0.696971D+01 -0.336838D+01  0.718459D+01 -0.480771D+01
      3   0.231870D-01  0.477735D+01  0.121626D-02 -0.130189D-02 -0.256601D-02
      4  -0.457190D+01 -0.159377D-01  0.508351D+01  0.484771D+01  0.715744D+01
      5   0.203594D+01  0.307800D+01  0.168591D-01  0.359673D+01  0.108485D-01
      6   0.307321D+01 -0.203492D+01 -0.233853D+01  0.901620D-02  0.357372D+01
                36            37            38            39            40 
      1  -0.594672D-01 -0.290019D+01  0.811757D+00  0.126806D+01  0.590799D+01
      2  -0.100072D+00 -0.429097D+01  0.245487D-01 -0.392086D+01 -0.766936D+01
      3   0.159540D+00  0.719116D+01 -0.836306D+00  0.265279D+01  0.176137D+01
      4   0.123710D-01  0.124238D+02 -0.480948D+01 -0.232153D+01 -0.769791D+01
      5  -0.980780D-02 -0.436801D+01  0.223037D+01  0.274350D+01  0.373967D+01
      6   0.258690D-01 -0.120162D+01 -0.103464D+01 -0.688718D+00  0.327941D+00
                41            42            43            44            45 
      1  -0.205739D+02  0.110307D+02  0.167733D+01  0.596903D+01  0.485122D+01
      2   0.217516D+02 -0.122215D+02 -0.889822D+00 -0.573703D+01  0.991939D+01
      3  -0.117769D+01  0.119075D+01 -0.787504D+00 -0.231996D+00 -0.147706D+02
      4   0.473758D+01 -0.388258D+01  0.264776D+00 -0.118489D+01  0.273935D+01
      5   0.326777D+01 -0.381276D+00  0.328105D+01  0.331082D+00 -0.124300D+01
      6  -0.127198D+02  0.713562D+01  0.714673D+00  0.513911D+01  0.753730D+01
                46            47            48            49            50 
      1   0.674872D+01  0.108756D+02  0.107642D+02  0.392363D+01  0.154095D+02
      2  -0.806002D+01 -0.571814D+01 -0.841073D+01 -0.136977D+01 -0.200918D+02
      3   0.131131D+01 -0.515744D+01 -0.235351D+01 -0.255386D+01  0.468231D+01
      4   0.102905D+02  0.118815D+02  0.758890D+01  0.782257D+01 -0.112197D+01
      5   0.679595D+01  0.421856D+01  0.559029D+01  0.228210D+01  0.579784D+01
      6   0.848129D+01  0.366337D+01  0.202129D+01  0.430814D+01 -0.249684D+01
                51            52            53            54            55 
      1   0.869335D+00  0.333558D+01  0.191589D+01  0.110346D+02  0.482369D+01
      2  -0.259043D+01 -0.392385D+01 -0.136458D+01  0.375283D+01 -0.543736D+01
      3   0.172109D+01  0.588271D+00 -0.551315D+00 -0.147875D+02  0.613670D+00
      4   0.313331D+01  0.452658D+01  0.115686D+01  0.842382D+00 -0.143396D+02
      5   0.235574D+01  0.515367D+01  0.365325D+00 -0.590232D+01 -0.138063D+02
      6   0.429975D+01  0.740749D+00  0.330708D+01 -0.482154D+01 -0.938577D+01
                56            57            58            59            60 
      1  -0.121816D+02 -0.159828D+02 -0.154428D+02 -0.203610D+02 -0.167879D+01
      2   0.122764D+01  0.677515D+01  0.221321D+01  0.122178D+02 -0.444231D+01
      3   0.109539D+02  0.920762D+01  0.132295D+02  0.814313D+01  0.612110D+01
      4  -0.242600D+02 -0.724723D+01 -0.279126D+02 -0.876773D+01 -0.189391D+02
      5  -0.350273D+01 -0.881438D+01 -0.562902D+01 -0.219337D+02  0.448739D+01
      6  -0.501674D+01 -0.189073D+00 -0.979835D+01 -0.532118D+01 -0.416390D+01
                61            62            63            64            65 
      1  -0.106283D+02  0.421163D+00 -0.530995D+01 -0.464364D+02  0.791037D+01
      2   0.334184D+01 -0.492525D+01  0.145876D+01  0.313375D+02 -0.228104D+01
      3   0.728647D+01  0.450409D+01  0.385119D+01  0.150990D+02 -0.562933D+01
      4  -0.507775D+01 -0.153511D+02  0.139540D+01 -0.252460D+00  0.103284D+02
      5  -0.759232D+01  0.242927D+01  0.116224D+01  0.260183D+02 -0.172872D+01
      6  -0.759097D+00 -0.448494D+01  0.209968D+01  0.997985D+00 -0.439839D+01
                66            67            68            69            70 
      1   0.243480D+02  0.131213D+02  0.168305D+02 -0.780223D+01  0.182059D+02
      2  -0.133070D+02 -0.521729D+01 -0.104897D+02  0.854146D+01 -0.967497D+01
      3  -0.110409D+02 -0.790399D+01 -0.634074D+01 -0.739226D+00 -0.853094D+01
      4   0.343311D+01  0.114478D+02 -0.453199D+01  0.105049D+02  0.322600D+00
      5  -0.503553D+01 -0.632414D+01  0.113195D+02 -0.513381D+01 -0.563293D+01
      6  -0.466916D+00 -0.189335D+01  0.908380D+01 -0.795893D+01 -0.120625D+00
                71            72            73            74            75 
      1  -0.669160D+01 -0.145861D+01  0.199412D+02 -0.185248D+01 -0.103349D+02
      2   0.754837D+01 -0.239369D+01 -0.187780D+02  0.118916D+01  0.947847D+01
      3  -0.856771D+00  0.385229D+01 -0.116317D+01  0.663322D+00  0.856424D+00
      4   0.851202D+01 -0.363247D+01  0.119266D+02 -0.917625D+01 -0.630540D+01
      5  -0.331471D+01 -0.219310D+01 -0.126620D+02 -0.172451D+01  0.723986D+01
      6  -0.644115D+01  0.965659D+00  0.745843D+00  0.441470D+01  0.225326D+00
                76            77            78            79            80 
      1   0.485019D+01 -0.758607D+01 -0.461541D+01 -0.509837D+01 -0.158003D+01
      2  -0.290685D+01  0.404606D+00  0.183654D+01  0.521700D+01  0.240123D+01
      3  -0.194334D+01  0.718147D+01  0.277888D+01 -0.118634D+00 -0.821203D+00
      4  -0.478248D+01  0.100095D+02 -0.377646D+01 -0.261903D+01 -0.427177D+00
      5  -0.289187D+01 -0.102367D+01 -0.120831D+00  0.500500D+01  0.950059D+00
      6   0.274952D+01 -0.362458D+01  0.267485D+01  0.566929D+00  0.347683D+01
                81            82            83            84            85 
      1   0.915030D+01  0.131529D+00  0.447873D+01  0.308229D+01  0.689064D+01
      2   0.563940D+01 -0.465285D+01 -0.973135D+01 -0.287942D+00 -0.952906D+01
      3  -0.147897D+02  0.452132D+01  0.525262D+01 -0.279435D+01  0.263841D+01
      4   0.331702D+01 -0.469866D+01  0.113832D+02 -0.990780D+01  0.450483D+01
      5   0.761571D+01  0.245977D+01 -0.915902D+00  0.387036D+01  0.110937D+01
      6  -0.262077D+00 -0.542371D+01  0.726988D+01 -0.185528D+01  0.710048D+01
                86            87            88            89            90 
      1   0.815132D+01  0.722876D+00 -0.109839D+01 -0.192479D+00  0.939278D+01
      2  -0.963931D+01 -0.950998D-01  0.298648D+00 -0.148085D+00  0.539445D+01
      3   0.148800D+01 -0.627776D+00  0.799737D+00  0.340564D+00 -0.147872D+02
      4  -0.195536D+02  0.780108D+01 -0.457882D+01  0.403423D+01 -0.318663D+01
      5   0.687218D+01 -0.215557D+01  0.449985D+01 -0.840072D+00 -0.357158D+01
      6  -0.499993D+01  0.604648D+01 -0.125183D+01  0.396105D+01  0.675456D+01
                91            92            93            94            95 
      1   0.527310D+01 -0.129616D+02 -0.112600D+02 -0.129050D+02 -0.116707D+01
      2   0.155941D+01  0.177451D+02  0.511111D+01  0.199600D+02 -0.144174D+02
      3  -0.683250D+01 -0.478357D+01  0.614892D+01 -0.705509D+01  0.155845D+02
      4  -0.875665D+01 -0.109821D+02  0.744187D+01 -0.150167D+02  0.330155D+02
      5  -0.950617D+01 -0.226172D+01 -0.967154D+01 -0.214363D+01 -0.179055D+02
      6   0.781000D+01 -0.371491D+01  0.248643D+01 -0.892686D+01  0.195000D+02
                96            97            98            99           100 
      1  -0.756844D+01 -0.862645D+01 -0.778137D+01 -0.531960D+01 -0.279382D+02
      2   0.167639D+02  0.362785D+01  0.147477D+02  0.146667D+01  0.112016D+02
      3  -0.919544D+01  0.499860D+01 -0.696632D+01  0.385292D+01  0.167366D+02
      4  -0.165258D+02  0.445709D+01 -0.115476D+02  0.141015D+01  0.316429D+02
      5  -0.221970D+01 -0.772448D+01 -0.109869D+01  0.258480D+00  0.229619D+02
      6  -0.333604D+01  0.210925D+01 -0.433748D+01 -0.239185D+01 -0.142703D+02
               101           102           103           104           105 
      1   0.190780D+02  0.200434D+02  0.158524D+02  0.910487D+01  0.557716D+01
      2  -0.151640D+02 -0.101428D+02 -0.142050D+02 -0.113240D+01 -0.104926D+02
      3  -0.391405D+01 -0.990057D+01 -0.164746D+01 -0.797248D+01  0.491543D+01
      4  -0.485046D+01 -0.138924D+02 -0.122278D+01 -0.104417D+02  0.754172D+01
      5  -0.670601D+01 -0.344952D+01 -0.151402D+01  0.764178D+01  0.328688D+01
      6  -0.407734D+01 -0.140926D+01 -0.352644D+01 -0.931269D+01 -0.951745D+01
               106           107           108           109           110 
      1   0.168952D+02  0.450859D+01  0.994984D+00 -0.130813D+01 -0.100980D+02
      2  -0.935125D+01 -0.856145D+01 -0.484076D+01  0.790749D+00  0.802083D+01
      3  -0.754396D+01  0.405286D+01  0.384577D+01  0.517384D+00  0.207716D+01
      4  -0.891472D+01  0.475070D+01  0.222805D+01 -0.223114D+02 -0.100156D+00
      5  -0.451952D+01  0.252315D+01 -0.241325D+01 -0.764858D+01  0.665628D+01
      6  -0.676559D+00 -0.754754D+01 -0.366225D-01  0.581435D+01  0.258618D+01
               111           112           113           114           115 
      1  -0.233910D+01 -0.121174D+02 -0.636365D+01  0.207493D+01 -0.131321D+01
      2   0.263932D+01  0.743108D+01  0.858998D+00  0.826990D+00  0.112794D+01
      3  -0.300220D+00  0.468628D+01  0.550465D+01 -0.290192D+01  0.185273D+00
      4   0.869658D+01  0.687742D+01 -0.399418D+01 -0.895445D+01  0.437074D+01
      5   0.650758D+01  0.709027D+01 -0.384694D+01 -0.148487D+01  0.423029D+01
      6  -0.179900D+01  0.588435D+00  0.208110D+01  0.337947D+01 -0.885211D+00
               116           117           118           119           120 
      1   0.131137D+01  0.627532D+01  0.802779D+02 -0.120465D+01 -0.205034D+02
      2  -0.210928D+01  0.850297D+01 -0.461990D+02  0.175783D+01  0.140339D+02
      3   0.797908D+00 -0.147783D+02 -0.340789D+02 -0.553175D+00  0.646956D+01
      4  -0.363252D+01 -0.357457D+01  0.993641D+01  0.841696D+01 -0.230031D+01
      5  -0.126521D+01  0.715634D+01 -0.319040D+02  0.457803D+00  0.187764D+02
      6   0.422598D+01 -0.271626D+01 -0.344766D+01 -0.179171D+01  0.295364D+01
               121           122           123           124           125 
      1  -0.135960D+02  0.696284D+01  0.477365D+01 -0.169100D+02  0.113267D+01
      2   0.934552D+01 -0.371545D+01 -0.451694D+01  0.135872D+02 -0.183490D+01
      3   0.425045D+01 -0.324739D+01 -0.256706D+00  0.332285D+01  0.702224D+00
      4   0.923289D+01 -0.100718D+01 -0.440246D+01 -0.255474D+01 -0.353085D+01
      5   0.586931D+01 -0.556618D+01 -0.276355D+01  0.217657D+02  0.136219D+00
      6  -0.244899D+01 -0.870495D+00  0.268869D+01  0.303025D+01  0.272908D+01
               126           127           128           129           130 
      1   0.126822D+02  0.100211D+01  0.516643D+01 -0.721783D+01  0.515585D+01
      2  -0.105951D+02  0.205071D+00 -0.362801D+01  0.358185D+01 -0.179209D+01
      3  -0.208710D+01 -0.120718D+01 -0.153842D+01  0.363598D+01 -0.336376D+01
      4   0.201708D+01  0.175914D+01 -0.610443D-01 -0.120808D+01  0.763987D+01
      5  -0.132545D+02 -0.465090D+01 -0.700860D+00  0.404712D+00 -0.385239D+01
      6  -0.164942D+01 -0.320445D+01  0.275849D+01 -0.207448D+01 -0.218311D+01
               131           132           133           134           135 
      1  -0.130527D+02  0.723026D+01 -0.652821D+01  0.521595D+01 -0.639107D+01
      2   0.180137D+02 -0.590721D+01  0.372918D+01 -0.318371D+01  0.160628D+01
      3  -0.496101D+01 -0.132304D+01  0.279903D+01 -0.203224D+01  0.478479D+01
      4   0.222528D+02 -0.102907D+02 -0.458437D+01 -0.862538D+01  0.781247D+01
      5  -0.102941D+02  0.122026D+02  0.518659D+01  0.822583D+01 -0.106878D+02
      6  -0.164639D+02  0.127092D+02  0.150645D+01  0.108988D+02 -0.108278D+02
               136           137           138           139           140 
      1   0.335523D+02  0.161560D+02  0.965039D+01  0.203674D+02  0.115019D+02
      2  -0.126829D+02 -0.319268D+01 -0.467659D+01 -0.259512D+01  0.495409D+01
      3  -0.208695D+02 -0.129633D+02 -0.497380D+01 -0.177723D+02 -0.164560D+02
      4   0.305765D+02  0.229132D+02  0.932625D+01  0.327780D+02  0.333333D+02
      5   0.178969D+02  0.921056D+01  0.128997D+02  0.131064D+02  0.144405D+02
      6   0.800803D+01  0.577617D+01  0.488044D+01  0.958984D+01  0.113551D+02
               141           142           143           144           145 
      1   0.372794D+01  0.845871D+01  0.223441D+01  0.600335D+01  0.146683D+02
      2   0.411725D+00 -0.539772D+01 -0.773022D+00 -0.391757D+01 -0.968222D+01
      3  -0.413967D+01 -0.306100D+01 -0.146138D+01 -0.208578D+01 -0.498610D+01
      4   0.142476D+02  0.972175D+01  0.104176D+02  0.107125D+02 -0.499380D+01
      5   0.105996D+02  0.162343D+02  0.102249D+02  0.115118D+02  0.118845D+02
      6   0.855096D+01  0.732938D+01  0.824832D+01  0.675252D+01 -0.769298D+00
               146           147           148           149           150 
      1  -0.592903D+01  0.809747D+01 -0.140611D+02  0.775922D+01 -0.334531D+01
      2   0.439871D+01 -0.601031D+01  0.106955D+02 -0.654431D+01  0.660453D+01
      3   0.153032D+01 -0.208717D+01  0.336554D+01 -0.121491D+01 -0.325922D+01
      4   0.783718D+01 -0.159186D+01  0.107241D+02 -0.158276D+02  0.101334D+02
      5  -0.372412D+01  0.987177D+01 -0.923880D+01  0.119631D+02 -0.143868D+02
      6   0.201691D+01 -0.116001D+00  0.401113D+01 -0.573004D+01  0.326058D+01
               151           152           153           154           155 
      1   0.948776D+01 -0.582163D+00  0.412724D+01  0.569900D+01 -0.487841D+01
      2  -0.849578D+01  0.389572D+01 -0.889649D+01  0.366541D+01 -0.515515D+01
      3  -0.991985D+00 -0.331356D+01  0.476924D+01 -0.936442D+01  0.100336D+02
      4  -0.836563D+00  0.729068D+01 -0.588219D+01 -0.170114D+02  0.193843D+02
      5   0.120121D+02 -0.737455D+01  0.150682D+02  0.761215D+01 -0.573465D+01
      6  -0.657769D+00  0.408789D+01 -0.208763D+01 -0.647825D+01  0.492023D+01
               156           157           158           159           160 
      1   0.349468D+01 -0.157969D+01 -0.135627D+02  0.595028D+01  0.172271D+01
      2  -0.484237D+00 -0.132572D+02  0.415338D+02 -0.116824D+02  0.547985D+00
      3  -0.301045D+01  0.148368D+02 -0.279711D+02  0.573213D+01 -0.227070D+01
      4  -0.647962D+01  0.276268D+02 -0.468820D+02  0.148658D+02 -0.766291D+01
      5   0.679850D+01 -0.787134D+01  0.148758D+02 -0.987365D+01  0.886427D+01
      6  -0.416175D+01  0.993187D+01 -0.238161D+02  0.146716D+02 -0.758916D+01
               161           162           163           164           165 
      1   0.531659D+01 -0.302350D+01  0.247852D+02  0.664302D+01  0.100649D+02
      2  -0.784490D+01  0.511131D+01 -0.186509D+02 -0.716405D+01 -0.938986D+01
      3   0.252831D+01 -0.208781D+01 -0.613423D+01  0.521029D+00 -0.675064D+00
      4   0.123077D+02 -0.110902D+02 -0.316877D+01  0.574287D+01 -0.217376D+01
      5  -0.104840D+02  0.806077D+01  0.165950D+02  0.281636D+01  0.140237D+02
      6   0.156325D+02 -0.106517D+02 -0.295363D+01  0.195849D+01 -0.434352D+01
               166           167           168           169           170 
      1   0.146854D+02  0.664025D+01  0.562054D+01  0.881216D+01  0.184263D+01
      2  -0.133838D+02 -0.661284D+01 -0.944379D+01 -0.917159D+01 -0.529324D+01
      3  -0.130160D+01 -0.274037D-01  0.382324D+01  0.359431D+00  0.345061D+01
      4   0.269709D+01  0.421735D+01  0.485617D+01 -0.396452D+01  0.551348D+01
      5   0.867116D+01  0.791945D+01  0.993333D+01  0.136900D+02  0.339916D+01
      6   0.169612D+01 -0.175277D+00 -0.895846D+00 -0.332375D+01  0.240950D+01
               171           172           173           174           175 
      1   0.636780D+01  0.559351D+02 -0.139010D+02 -0.152514D+02 -0.385046D+01
      2  -0.111605D+02 -0.250505D+02  0.190633D+01  0.918141D+01 -0.333618D+01
      3   0.479271D+01 -0.308847D+02  0.119947D+02  0.606995D+01  0.718664D+01
      4  -0.447420D+00 -0.434396D+02  0.216233D+02  0.128380D+02  0.151272D+02
      5   0.147408D+02 -0.273503D+02  0.822742D+01  0.163359D+02  0.297317D+01
      6  -0.385009D+01  0.130297D+02 -0.565969D+01 -0.860758D+01 -0.419170D+01
               176           177           178           179           180 
      1   0.492132D+01 -0.746934D+00 -0.110408D+02  0.111581D+01  0.784573D+01
      2   0.153427D+01  0.297917D+01  0.824551D+01  0.801050D+00 -0.575408D+01
      3  -0.645559D+01 -0.223224D+01  0.279531D+01 -0.191686D+01 -0.209165D+01
      4  -0.113607D+02 -0.512378D+01  0.110602D+02 -0.614310D+01 -0.964611D+01
      5  -0.557556D+01 -0.288943D+01  0.178461D+02 -0.639477D+01 -0.115922D+02
      6   0.527941D+01  0.510698D+01 -0.928803D+01  0.663074D+01  0.658204D+01
               181           182           183           184           185 
      1  -0.477727D+01 -0.119843D+02 -0.923903D+01 -0.680006D+01 -0.197946D+02
      2   0.481326D+01  0.124922D+02  0.536817D+01  0.546323D+01  0.259577D+02
      3  -0.359927D-01 -0.507867D+00  0.387087D+01  0.133683D+01 -0.616310D+01
      4   0.183958D+01  0.342037D+00  0.331677D+01  0.517920D+01 -0.819095D+01
      5  -0.153510D+01  0.100945D+01 -0.136632D+01  0.205353D+01 -0.476599D+01
      6   0.642771D+01  0.754526D+01  0.789508D+01  0.176985D+01  0.174804D+02
               186           187           188           189           190 
      1  -0.978332D+01 -0.551435D+01 -0.863380D+01 -0.107339D+02 -0.130985D+01
      2   0.996666D+01  0.214225D+01  0.783662D+01  0.596165D+01  0.138646D+02
      3  -0.183333D+00  0.337210D+01  0.797179D+00  0.477230D+01 -0.125548D+02
      4  -0.423095D+01  0.517400D+01 -0.554077D+01 -0.270320D+01  0.249764D+02
      5  -0.637883D+01  0.259574D+01 -0.478597D+01 -0.573739D+01  0.772714D+01
      6   0.145046D+02  0.193176D+01  0.135102D+02  0.141038D+02  0.127402D+02
               191           192           193           194           195 
      1  -0.824029D+01 -0.229477D+01 -0.635592D+01 -0.220410D+02 -0.721191D+01
      2   0.249114D+02  0.575041D+01  0.182274D+02  0.468015D+02  0.126836D+02
      3  -0.166711D+02 -0.345564D+01 -0.118715D+02 -0.247604D+02 -0.547170D+01
      4   0.288834D+02  0.122971D+02  0.198256D+02  0.299515D+02  0.884613D+01
      5   0.808531D+01  0.663217D+01  0.481007D+01  0.727429D+01  0.406171D+01
      6   0.134576D+02  0.978308D+01  0.909910D+01  0.218774D+02  0.148391D+02
               196           197           198           199           200 
      1  -0.238774D+01 -0.806147D+01 -0.652112D+01 -0.357062D+01  0.807679D+01
      2   0.344031D+01  0.112883D+02  0.860554D+01  0.546713D+01 -0.118368D+02
      3  -0.105257D+01 -0.322682D+01 -0.208442D+01 -0.189651D+01  0.376005D+01
      4   0.860899D+01  0.880837D+01  0.907206D+01 -0.198755D+02  0.119782D+02
      5   0.612033D+01  0.600472D+01  0.520003D+01 -0.815339D+01  0.441056D+01
      6   0.889997D+01  0.183756D+02  0.123040D+02  0.126894D+02 -0.849674D+01
               201           202           203           204           205 
      1   0.448281D+01  0.277070D+01 -0.660769D+01 -0.481836D+01  0.296157D+01
      2  -0.151185D+01 -0.470385D+01  0.108771D+02  0.730938D+01  0.201464D+00
      3  -0.297096D+01  0.193314D+01 -0.426944D+01 -0.249103D+01 -0.316304D+01
      4   0.114209D+02  0.733320D+01 -0.521492D+01 -0.188657D+01  0.796454D+01
      5   0.525082D+01  0.171014D+01 -0.140489D+01 -0.720680D+00  0.526077D+01
      6  -0.149979D+02 -0.329245D+01  0.101057D+02  0.787284D+01 -0.826601D+01
               206           207           208           209           210 
      1  -0.764978D+01 -0.716352D+01 -0.479940D+01  0.120748D+02 -0.502290D+01
      2   0.905835D+01  0.237613D+01  0.905226D+01 -0.202509D+02  0.612133D+01
      3  -0.140857D+01  0.478740D+01 -0.425286D+01  0.817607D+01 -0.109843D+01
      4  -0.210960D+01 -0.736712D+01 -0.506152D+01  0.121054D+02 -0.569265D+01
      5  -0.154512D+01 -0.403516D+01  0.524634D+00 -0.321648D+01  0.293398D+01
      6   0.108354D+02  0.146832D+02 -0.681400D+01  0.881692D+01 -0.484165D+01
               211           212           213           214           215 
      1   0.503062D+01 -0.451101D+02  0.134921D+02 -0.265348D+01  0.134894D+02
      2  -0.839906D+01  0.782101D+02 -0.198719D+02  0.239002D+01 -0.168770D+02
      3   0.336844D+01 -0.331000D+02  0.637979D+01  0.263458D+00  0.338760D+01
      4   0.873519D+01 -0.402319D+01  0.150599D+01 -0.395085D+01  0.964340D+00
      5  -0.186168D+01  0.706102D-01  0.874330D+00  0.264158D+01  0.517213D+00
      6   0.353714D+01 -0.308694D+02  0.185114D+02 -0.237560D+01  0.218354D+02
               216           217           218           219           220 
      1  -0.107108D+02  0.124531D+02 -0.201074D+01 -0.347696D+01 -0.180166D+01
      2   0.128013D+02 -0.817938D+01  0.579409D+01  0.524673D+01  0.374112D+01
      3  -0.209051D+01 -0.427368D+01 -0.378336D+01 -0.176977D+01 -0.193946D+01
      4  -0.105755D+01  0.244318D+02  0.949526D+01 -0.115657D+02  0.180699D+01
      5   0.909271D-01 -0.149261D+02 -0.328574D+01  0.111944D+02  0.119255D+01
      6  -0.133362D+02 -0.116511D+02 -0.499988D+01  0.136313D+02 -0.120482D+01
               221           222           223           224           225 
      1  -0.101379D+01  0.328493D+01 -0.142172D+01  0.461971D+01 -0.549837D+00
      2   0.293664D+01 -0.672838D+01  0.379751D+01 -0.713818D+01 -0.422155D+01
      3  -0.192284D+01  0.344345D+01 -0.237579D+01  0.251847D+01  0.477139D+01
      4   0.272284D+01 -0.129566D+01 -0.893684D+01 -0.431891D+01  0.858094D+01
      5  -0.262420D+01 -0.645702D+00  0.954936D+01  0.207862D+01 -0.934812D+01
      6  -0.575805D+01  0.193457D+01  0.879832D+01  0.655947D+01 -0.120222D+02
               226           227           228           229           230 
      1   0.120460D+02  0.223161D+01 -0.159568D+01 -0.210631D+01  0.169836D+01
      2  -0.400847D+01 -0.814949D+01  0.446509D+00 -0.152175D+01  0.312434D+01
      3  -0.803748D+01  0.591788D+01  0.114917D+01  0.362806D+01 -0.482271D+01
      4  -0.230360D+02  0.107691D+02 -0.435241D+01  0.893981D+01 -0.686272D+01
      5   0.105851D+02 -0.471149D+01  0.466316D+01 -0.240561D+01  0.132690D+01
      6  -0.374656D+01  0.684446D+01 -0.576947D+01  0.148296D+01 -0.190300D+00
               231           232           233           234           235 
      1  -0.106452D+01 -0.105057D+01 -0.346216D+01  0.120129D+01 -0.465272D+00
      2   0.111223D+01 -0.156058D+01  0.613351D+01 -0.325618D+01 -0.216256D+01
      3  -0.477085D-01  0.261114D+01 -0.267135D+01  0.205490D+01  0.262784D+01
      4   0.142356D+01  0.224086D+01 -0.540188D+00 -0.292768D+01 -0.129974D+01
      5  -0.132459D+01  0.222968D+01 -0.581898D+00  0.171343D+01  0.154603D+01
      6   0.145548D+01 -0.240402D+01 -0.568109D+00 -0.496691D+00 -0.231475D+01
               236           237           238           239           240 
      1  -0.295857D+01  0.187033D+01 -0.168572D+01  0.918468D+00 -0.143546D+01
      2   0.283006D+01 -0.633841D+00  0.985792D+00 -0.339712D+01 -0.310775D+01
      3   0.128511D+00 -0.123648D+01  0.699930D+00  0.247865D+01  0.454321D+01
      4   0.252747D+01 -0.298532D+01  0.396304D+00 -0.271484D+00  0.432168D-01
      5  -0.957988D+00  0.496327D+01 -0.717501D-01 -0.115996D+01  0.107126D+01
      6  -0.116672D+01  0.106248D+01 -0.765617D+00  0.348844D+00  0.132360D+01
               241           242           243           244           245 
      1  -0.100362D+01  0.668197D+01 -0.166475D+02  0.285862D+02 -0.213584D+01
      2  -0.312664D+01 -0.413025D+01 -0.182583D+02 -0.176293D+02  0.551062D+01
      3   0.413026D+01 -0.255172D+01  0.349058D+02 -0.109569D+02 -0.337478D+01
      4  -0.402922D+01  0.268131D+00 -0.321246D+01  0.159640D+02  0.686825D+01
      5   0.452802D+01 -0.103908D+01  0.554828D+01  0.131891D+02  0.202384D+01
      6  -0.349641D+01  0.802332D+01 -0.226581D+02  0.118567D+01  0.386895D+01
               246           247           248           249           250 
      1   0.230519D+01 -0.690724D+00  0.418731D+01  0.936792D+00 -0.188020D+01
      2  -0.339025D+01  0.177745D+01 -0.227356D+01 -0.536234D+00 -0.156196D+01
      3   0.108506D+01 -0.108672D+01 -0.191375D+01 -0.400559D+00  0.344216D+01
      4   0.358537D+01  0.168627D+01 -0.260341D-01 -0.124414D+01 -0.309181D+01
      5   0.668849D+01 -0.214891D+01 -0.709856D+00 -0.856655D+00  0.286461D+01
      6   0.358751D+01 -0.196159D+00 -0.211774D+01 -0.594742D+00  0.972310D+00
               251           252           253           254           255 
      1   0.259532D+01  0.262305D+01  0.218546D+01  0.318855D+01  0.399208D+01
      2  -0.406428D+01 -0.466953D+01 -0.449735D+01 -0.313069D+01 -0.112073D+01
      3   0.146896D+01  0.204648D+01  0.231189D+01 -0.578567D-01 -0.287135D+01
      4  -0.282408D+01  0.482699D+00 -0.251085D+00 -0.710201D+00  0.136588D+01
      5  -0.856023D+00  0.176086D+01  0.187812D+01 -0.838133D+00  0.367657D+01
      6  -0.121486D+01 -0.214306D+00  0.565583D+00 -0.162425D+01 -0.202574D+01
               256           257           258           259           260 
      1   0.867752D+00 -0.150070D+01  0.195595D+00 -0.461238D+00 -0.511296D+01
      2  -0.233929D+00 -0.129191D+01  0.352071D+01 -0.434194D+01  0.434551D+01
      3  -0.633823D+00  0.279262D+01 -0.371630D+01  0.480317D+01  0.767444D+00
      4  -0.111856D+01 -0.760917D+00  0.104088D+00  0.347234D+01  0.290218D+01
      5  -0.150753D+01 -0.764483D+00 -0.205206D+01  0.665026D+01  0.160621D+01
      6  -0.921473D+00  0.110828D+01  0.261377D+01  0.406907D+01  0.589916D+01
               261           262           263           264           265 
      1  -0.146020D+02  0.220101D+02  0.821061D+01 -0.242494D+01  0.136723D+02
      2  -0.203006D+02 -0.122671D+02 -0.557738D+01  0.304825D+01 -0.874458D+01
      3   0.349025D+02 -0.974298D+01 -0.263323D+01 -0.623313D+00 -0.492773D+01
      4   0.170178D+01  0.916634D+01  0.100943D+02 -0.208566D+01  0.626294D+01
      5   0.138179D+02 -0.741531D+01 -0.314208D+01  0.532305D+01 -0.892727D+01
      6   0.187833D+02 -0.348285D+01 -0.354164D+01  0.936214D+00 -0.286481D+01
               266           267           268           269           270 
      1   0.663219D+01 -0.287700D+01  0.532304D+01  0.810182D+00  0.382519D+00
      2  -0.353450D+01  0.385166D+01 -0.170526D+01  0.117298D+00 -0.243922D+01
      3  -0.309769D+01 -0.974659D+00 -0.361778D+01 -0.927481D+00  0.205670D+01
      4   0.121476D+02 -0.297578D+00 -0.292587D+01  0.272979D+01  0.339655D+01
      5  -0.195932D+01  0.539269D+01  0.141538D+01  0.287168D+01 -0.128202D+01
      6  -0.486560D+01  0.787227D+00  0.104684D+01  0.248487D+00 -0.123751D+01
               271           272           273           274           275 
      1  -0.135740D+01  0.453421D+00 -0.365165D+01  0.122904D+01 -0.134066D+01
      2  -0.799223D+00 -0.243795D-01 -0.905071D+00 -0.137123D+01 -0.160643D+01
      3   0.215662D+01 -0.429042D+00  0.455672D+01  0.142197D+00  0.294709D+01
      4   0.406964D+01 -0.194895D+00 -0.679996D+00  0.222380D+01 -0.682758D+00
      5   0.474251D+00 -0.124608D+01  0.130610D+01 -0.133825D+01 -0.236271D+01
      6  -0.225891D+00 -0.419193D+00  0.103667D+01 -0.138675D+01  0.881327D+00
               276           277           278           279           280 
      1  -0.872855D+00 -0.188318D+01  0.482529D-01 -0.150824D+02 -0.428234D+01
      2   0.206393D+01  0.614849D+01  0.224338D+01 -0.198253D+02  0.653167D+01
      3  -0.119107D+01 -0.426530D+01 -0.229163D+01  0.349077D+02 -0.224933D+01
      4  -0.258096D+01  0.247152D+01 -0.480738D+01  0.229987D+01  0.887000D+01
      5   0.103737D+01  0.910340D+01  0.843963D+00 -0.223795D+02 -0.391371D+01
      6   0.498228D+01 -0.160703D+01  0.344232D+01  0.653052D+01 -0.989903D+00
               281           282           283           284           285 
      1  -0.869323D+01  0.330870D+01 -0.666477D+01 -0.162542D+02  0.393358D+01
      2   0.126466D+02 -0.242688D+01  0.832172D+01  0.269050D+02 -0.319137D+01
      3  -0.395342D+01 -0.881816D+00 -0.165695D+01 -0.106508D+02 -0.742214D+00
      4   0.373843D+01  0.756055D+00  0.855698D+01  0.597225D+01 -0.120721D+01
      5  -0.186230D+01  0.419719D-01 -0.328803D+01 -0.313965D+01  0.243931D+00
      6  -0.830627D+01  0.469018D+01 -0.266424D+01 -0.932459D+01  0.604023D+01
               286           287           288           289           290 
      1  -0.491450D+00 -0.937159D+00 -0.326049D+01 -0.119565D+01 -0.183164D+01
      2   0.935077D+00  0.466060D+01  0.122009D+01 -0.177744D+01  0.157725D+01
      3  -0.443627D+00 -0.372344D+01  0.204040D+01  0.297309D+01  0.254390D+00
      4   0.301103D+01 -0.336554D+01  0.291794D+01 -0.807235D+00  0.117442D+01
      5  -0.247757D+00  0.824848D+00 -0.106374D+01  0.133497D+01 -0.990216D+00
      6   0.265313D+01  0.189096D+01 -0.141537D+01 -0.182946D+01 -0.182104D+01
               291           292           293           294           295 
      1   0.277798D+01  0.119109D+00 -0.210299D+01 -0.400637D+00  0.273490D+01
      2  -0.974547D+00  0.205994D+00 -0.317478D-01 -0.392235D+01 -0.984726D+00
      3  -0.180343D+01 -0.325103D+00  0.213474D+01  0.432299D+01 -0.175018D+01
      4  -0.206331D+01 -0.876635D+00  0.412083D+01 -0.576292D+00 -0.478057D+01
      5   0.463691D+01 -0.458456D-01 -0.447695D+00  0.146585D+01  0.362497D+01
      6   0.150819D+01 -0.158574D+01  0.162479D-01  0.165561D+01  0.145454D+00
               296           297           298           299           300 
      1   0.580347D+01 -0.203571D+02 -0.310463D+01  0.364495D+01  0.355012D+00
      2  -0.124890D+01 -0.145285D+02  0.460591D+01 -0.379985D+01  0.177084D+00
      3  -0.455457D+01  0.348856D+02 -0.150128D+01  0.154903D+00 -0.532097D+00
      4   0.282192D+01  0.162047D+01 -0.194486D+01  0.468523D+00 -0.173293D+01
      5  -0.232711D+01  0.934799D+01 -0.247746D+01 -0.157179D+00 -0.819739D+00
      6   0.893610D+01 -0.213822D+02 -0.783359D+00 -0.400541D+01 -0.184608D+01
               301           302           303           304           305 
      1   0.595718D+01 -0.200266D+02 -0.423340D+01 -0.308300D+01 -0.120839D+01
      2  -0.381724D+01  0.313796D+02  0.321160D+01  0.207797D+01 -0.238500D+01
      3  -0.213994D+01 -0.113529D+02  0.102180D+01  0.100503D+01  0.359339D+01
      4   0.612601D+01  0.105342D+02  0.253706D+01 -0.317512D+01 -0.337200D+01
      5   0.332794D+01 -0.782427D-01  0.260868D+01 -0.116005D+01  0.446087D+00
      6   0.674376D+00  0.130795D+02  0.693438D+01 -0.137877D+01  0.281884D+01
               306           307           308           309           310 
      1  -0.467615D+01 -0.796235D+00  0.525154D+00  0.359571D+01 -0.238757D+01
      2   0.262028D+01 -0.207512D+01  0.297739D-01 -0.275690D+00  0.237318D+01
      3   0.205587D+01  0.287136D+01 -0.554928D+00 -0.332002D+01  0.143936D-01
      4  -0.466240D+00 -0.373210D+00 -0.112302D+01  0.438344D+00 -0.141295D+01
      5  -0.430767D+00  0.146558D+01 -0.564511D+00  0.315823D+01 -0.135821D+01
      6   0.173467D+01 -0.233965D+00 -0.189617D+01 -0.211384D+01 -0.132952D+01
               311           312           313           314           315 
      1  -0.461638D+01 -0.906289D+00  0.407347D+01 -0.465299D+01 -0.206314D+02
      2   0.238515D+01  0.426852D+01 -0.421844D+01 -0.180306D+00 -0.142819D+02
      3   0.223124D+01 -0.336223D+01  0.144971D+00  0.483329D+01  0.349133D+02
      4  -0.145805D+01  0.727578D+00  0.361836D+01  0.335124D+01  0.896915D+00
      5   0.447593D-01 -0.211738D+01  0.518727D+01  0.386226D+01  0.168418D+02
      6   0.153210D+01  0.311962D+01  0.141592D+01  0.734934D+01  0.160997D+02
               316           317           318           319           320 
      1   0.671162D+01 -0.322353D+01  0.505872D+00 -0.101442D+02  0.389299D+00
      2  -0.600031D+00 -0.661931D+00 -0.314657D+00  0.397491D+01  0.636940D+01
      3  -0.611159D+01  0.388546D+01 -0.191216D+00  0.616933D+01 -0.675870D+01
      4  -0.904906D+01  0.107182D+02  0.215007D+01  0.110849D+02 -0.217285D+02
      5  -0.162566D+01  0.223156D+01  0.241122D+01  0.785063D+01 -0.382729D+01
      6   0.219702D+01 -0.322478D+01 -0.161678D+01 -0.480071D+01  0.909126D+01
               321           322           323           324           325 
      1   0.161283D+01  0.633790D+01 -0.132409D+01 -0.242630D+01 -0.360411D+01
      2  -0.274642D+01 -0.334545D+01 -0.916362D+00  0.375680D+00  0.122622D+01
      3   0.113359D+01 -0.299245D+01  0.224045D+01  0.205062D+01  0.237789D+01
      4  -0.368915D+01  0.436546D+00  0.218262D+01 -0.339996D+01 -0.133419D+01
      5  -0.605847D+01 -0.133921D+00 -0.270883D+01 -0.705673D+00  0.670691D+00
      6   0.369004D+01 -0.885905D+00  0.180117D+01  0.163910D+01 -0.906991D+00
               326           327           328           329           330 
      1   0.612097D+00 -0.308379D+01  0.184357D+01 -0.144145D+01 -0.219333D+00
      2  -0.127602D+01 -0.157763D+01 -0.193551D+01 -0.128867D+01  0.855903D+00
      3   0.663928D+00  0.466142D+01  0.919376D-01  0.273013D+01 -0.636570D+00
      4   0.743780D+00  0.242608D+00  0.320808D+01 -0.953312D+00 -0.320018D+01
      5  -0.336869D+00  0.111078D+01 -0.612378D+00 -0.267631D+01  0.554718D+00
      6  -0.454306D+00  0.564629D+00 -0.138509D+01  0.102341D+01  0.517409D+01
               331           332           333 
      1  -0.371477D+01 -0.255733D+01 -0.174046D+02
      2   0.677733D+01 -0.120740D+01 -0.175008D+02
      3  -0.306255D+01  0.376473D+01  0.349054D+02
      4  -0.586353D+00 -0.427787D+01 -0.331069D+01
      5   0.854570D+01 -0.296749D+01 -0.231744D+02
      6  -0.510103D+00  0.400374D+01  0.255566D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.191352D-03      0.486369D-03      0.162235D-02
   y          0.138826D-03      0.352861D-03      0.117702D-02
   z          0.850858D-03      0.216267D-02      0.721388D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.147873D+03      0.219125D+02      0.243810D+02
   yx        -0.236901D-02     -0.351051D-03     -0.390597D-03
   yy         0.147870D+03      0.219120D+02      0.243804D+02
   zx        -0.100961D-03     -0.149609D-04     -0.166462D-04
   zy        -0.253378D-02     -0.375468D-03     -0.417764D-03
   zz         0.122517D+03      0.181551D+02      0.202003D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147856D+03      0.219100D+02      0.243782D+02
   aniso      0.277891D+02      0.411793D+01      0.458181D+01
   xx         0.157122D+03      0.232831D+02      0.259059D+02
   yx        -0.266570D-02     -0.395016D-03     -0.439514D-03
   yy         0.157116D+03      0.232822D+02      0.259050D+02
   zx        -0.512744D-04     -0.759808D-05     -0.845400D-05
   zy        -0.338472D-02     -0.501564D-03     -0.558065D-03
   zz         0.129330D+03      0.191647D+02      0.213236D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.09586463         -5.50308848          0.32546661
     6         -0.79171345         -4.98889569         -2.46362738
     7         -1.47225398         -2.26963737         -2.95700418
    45          0.00013473          0.00009100          0.00017656
     7          0.42052229         -3.57325612          1.76689302
     7          1.82412374          1.95513621          2.98545080
     6          4.63501141          1.56408176          2.76805307
     6          5.35516074          1.70635312          0.01176668
     7          3.73937362         -0.13536852         -1.43689464
     7         -0.85445332          3.43191145         -1.88646038
     6         -3.64246209          3.95121761         -1.64562970
     6         -4.46100190          3.26979527          1.00041610
     7         -3.65718806          0.59124841          1.52988273
     1          7.35262507          1.27980299         -0.26190660
     1          5.01470516          3.58689163         -0.75884133
     1          5.64494176          2.97607793          3.87845868
     1          5.07911941         -0.28254537          3.56732240
     1         -4.04420657          5.92811316         -2.06661185
     1         -4.62154706          2.80932632         -3.05403169
     1         -6.49989077          3.46622884          1.22626436
     1         -3.56489235          4.48636463          2.40153000
     1         -1.97912045         -6.24237594         -3.58859664
     1          1.15615112         -5.27297299         -3.07305004
     1         -0.47629337         -7.40878345          0.80626716
     1         -3.06320060         -5.32744340          0.91293807
     1          2.25914378         -4.14875835          1.81670697
     1         -0.13680707         -3.60173339          3.61144617
     1         -3.38958046         -2.13120444         -3.09399889
     1         -0.83348953         -1.78074671         -4.70815721
     1         -4.96471876         -0.60433466          0.77155817
     1         -3.76900490          0.27654896          3.42780692
     1          0.11459015          4.92682632         -1.15136422
     1         -0.38472376          3.43288452         -3.75542533
     1          1.46192031          3.84757382          2.94426095
     1          1.25716700          1.40034455          4.74171999
     1          4.51698612         -1.89162280         -1.27849529
     1          3.86841282          0.27442683         -3.31549055

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.883090D-03      0.224459D-02      0.748715D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.146683D+03      0.217361D+02      0.241847D+02
   yx        -0.865415D+00     -0.128241D+00     -0.142688D+00
   yy         0.147244D+03      0.218193D+02      0.242773D+02
   zx         0.529349D+01      0.784414D+00      0.872778D+00
   zy         0.383730D+01      0.568629D+00      0.632685D+00
   zz         0.124333D+03      0.184242D+02      0.204997D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147856D+03      0.219100D+02      0.243782D+02
   aniso      0.277891D+02      0.411793D+01      0.458181D+01
   xx         0.155817D+03      0.230897D+02      0.256908D+02
   yx        -0.948456D+00     -0.140547D+00     -0.156379D+00
   yy         0.156431D+03      0.231806D+02      0.257919D+02
   zx         0.580204D+01      0.859774D+00      0.956628D+00
   zy         0.420500D+01      0.623117D+00      0.693311D+00
   zz         0.131320D+03      0.194597D+02      0.216518D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K07-06-02\Freq\RLC-PBEPBE\Gen\C6H24N6Rh1(3+)\PIERPA\20-Ju
 l-2021\0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCy
 c=120,Tight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/
 107=0236000000,3/108=0236000000,3/119=1000000000,3/120=1000000000,3/13
 0=-1,3/131=-1) Pseudo=Read\\ROA calculations.\\3,1\C,-0.478199,-2.8383
 2,0.749399\C,-0.645629,-2.804461,-0.750307\N,-1.078681,-1.418399,-1.15
 0041\Rh,0.000089,0.000061,0.000067\N,0.452614,-1.72396,1.149911\N,1.26
 6579,1.253203,1.150361\C,2.69713,1.00498,0.74974\C,2.751749,0.843414,-
 0.749999\N,1.767955,-0.224596,-1.150132\N,-0.689162,1.644142,-1.149359
 \C,-2.106386,1.961118,-0.750083\C,-2.219517,1.832701,0.749582\N,-1.719
 027,0.469782,1.150195\H,3.756021,0.57943,-1.083089\H,2.47027,1.765046,
 -1.260306\H,3.333144,1.825874,1.082628\H,3.035123,0.1025,1.259954\H,-2
 .380317,2.962746,-1.083117\H,-2.763117,1.256285,-1.260915\H,-3.248557,
 1.972847,1.082181\H,-1.607166,2.57671,1.26\H,-1.376439,-3.54211,-1.083
 457\H,0.293217,-3.021476,-1.260748\H,-0.08555,-3.799768,1.082032\H,-1.
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 41932,1.013461\H,1.180208,1.114623,2.15698\H,2.203896,-1.13623,-1.0124
 33\H,1.615436,-0.167935,-2.156845\\Version=ES64L-G16RevA.03\State=1-A\
 HF=-681.6349369\RMSD=1.381e-09\RMSF=2.474e-05\ZeroPoint=0.3526594\Ther
 mal=0.3676896\Dipole=0.0001914,0.0001388,0.0008509\DipoleDeriv=0.25052
 19,0.3398396,0.0073633,0.1424711,0.2307943,0.0882515,0.0370253,0.22159
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 23594,0.0186794,0.2147754,0.0655003,0.1175151,-0.4470565,-0.0771842,0.
 0846756,-0.0835935,-0.161226,-0.0942858,0.208932,-0.0969642,-0.2515427
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 050683,0.0655749,-0.1638949,0.1531762,0.1173643,0.0270917,-0.0135758,0
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 .0837891,-0.0125075,-0.0132373,-0.0400344,0.107383,-0.0040482,0.011880
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 93,0.1530651,-0.0519804,0.0326711,-0.0094107,0.1361416,-0.0003705,0.03
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 119483,-0.0121288,0.0038737,-0.0538675,0.2157162,0.172192,0.0369349,0.
 0302942,-0.0055453,0.1170406,-0.01215,0.0284427,-0.0136182,0.1468328,0
 .1487863,-0.0070873,-0.0017064,-0.0224583,0.1178684,0.0137166,0.024246
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 5,-0.0280479,-0.0143057,-0.0280618,0.1469482,0.1230658,0.0110779,-0.00
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 0.0177147,0.1467674,0.1383901,0.0284817,0.0127344,0.0130893,0.1282767,
 -0.0054293,0.029654,-0.0451455,0.21584,0.1137529,-0.0131596,-0.0159569
 ,0.0292884,0.1753585,0.0284644,-0.0171239,0.0264173,0.1469787,0.122206
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 23639,-0.0023062,0.0313795,0.1469009,0.1128035,0.0017076,-0.0110418,-0
 .013654,0.1538236,-0.0083223,-0.0538901,-0.0031473,0.2157765\Polar=147
 .8730659,-0.002369,147.8697378,-0.000101,-0.0025338,122.5167315\Quadru
 pole=5.0025657,4.9994665,-10.0020322,-0.0013846,-0.0009109,-0.0014205\
 PG=C01 [X(C6H24N6Rh1)]\NImag=0\\0.55746384,-0.09371318,0.53519732,-0.0
 5330292,-0.04547015,0.52114388,-0.08667959,0.00116318,0.00033885,0.620
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 .02373585,-0.09018405,-0.07716077,-0.06364630,0.61164748,0.00743206,-0
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 0034537,0.00057096,-0.00154341,-0.00153602,-0.00747354,0.00379996,0.00
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 TRUST EVERYONE, BUT CUT THE CARDS.
 Job cpu time:       3 days  2 hours 16 minutes  4.8 seconds.
 Elapsed time:       0 days  9 hours 18 minutes 34.0 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Tue Jul 20 04:10:17 2021.
